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Quantitative Structure-Activity RelationshipStructure-Activity RelationshipMolecular StructureMescalineSalvia officinalisDrug DesignModels, MolecularMolecular ConformationModels, ChemicalBinding SitesKineticsLigandsAmino Acid SequenceProtein ConformationMagnetic Resonance SpectroscopyMolecular Sequence DataProtein BindingCobra Cardiotoxin ProteinsChalconesStereoisomerismCatalysisFuransSmall Molecule LibrariesSubstrate SpecificityDose-Response Relationship, DrugPhysicochemical PhenomenaEnzyme InhibitorsDrug DiscoveryChemistry, PhysicalDrug Evaluation, PreclinicalInhibitory Concentration 50Free Radical ScavengersBinding, CompetitiveAnti-Bacterial AgentsMicrobial Sensitivity TestsPeptidesChemical SafetyAnimal WelfareClinical Laboratory TechniquesCarbazilquinoneHazardous SubstancesNorethandroloneNandroloneEthylestrenolAnabolic AgentsEncyclopedias as TopicTestosteroneDihydrotestosteroneBacillus anthracisTetrahydrofolate DehydrogenaseAnthrax
Quantitative Structure-Activity Relationship: A quantitative prediction of the biological, ecotoxicological or pharmaceutical activity of a molecule. It is based upon structure and activity information gathered from a series of similar compounds.Structure-Activity Relationship: The relationship between the chemical structure of a compound and its biological or pharmacological activity. Compounds are often classed together because they have structural characteristics in common including shape, size, stereochemical arrangement, and distribution of functional groups.Molecular Structure: The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type and location of covalent bonds.Mescaline: Hallucinogenic alkaloid isolated from the flowering heads (peyote) of Lophophora (formerly Anhalonium) williamsii, a Mexican cactus used in Indian religious rites and as an experimental psychotomimetic. Among its cellular effects are agonist actions at some types of serotonin receptors. It has no accepted therapeutic uses although it is legal for religious use by members of the Native American Church.Salvia officinalis: A plant species of the Salvia genus known as a spice and medicinal plant.Drug Design: The molecular designing of drugs for specific purposes (such as DNA-binding, enzyme inhibition, anti-cancer efficacy, etc.) based on knowledge of molecular properties such as activity of functional groups, molecular geometry, and electronic structure, and also on information cataloged on analogous molecules. Drug design is generally computer-assisted molecular modeling and does not include pharmacokinetics, dosage analysis, or drug administration analysis.Models, Molecular: Models used experimentally or theoretically to study molecular shape, electronic properties, or interactions; includes analogous molecules, computer-generated graphics, and mechanical structures.Molecular Conformation: The characteristic three-dimensional shape of a molecule.Models, Chemical: Theoretical representations that simulate the behavior or activity of chemical processes or phenomena; includes the use of mathematical equations, computers, and other electronic equipment.Binding Sites: The parts of a macromolecule that directly participate in its specific combination with another molecule.Kinetics: The rate dynamics in chemical or physical systems.Ligands: A molecule that binds to another molecule, used especially to refer to a small molecule that binds specifically to a larger molecule, e.g., an antigen binding to an antibody, a hormone or neurotransmitter binding to a receptor, or a substrate or allosteric effector binding to an enzyme. Ligands are also molecules that donate or accept a pair of electrons to form a coordinate covalent bond with the central metal atom of a coordination complex. (From Dorland, 27th ed)Amino Acid Sequence: The order of amino acids as they occur in a polypeptide chain. This is referred to as the primary structure of proteins. It is of fundamental importance in determining PROTEIN CONFORMATION.Protein Conformation: The characteristic 3-dimensional shape of a protein, including the secondary, supersecondary (motifs), tertiary (domains) and quaternary structure of the peptide chain. PROTEIN STRUCTURE, QUATERNARY describes the conformation assumed by multimeric proteins (aggregates of more than one polypeptide chain).Magnetic Resonance Spectroscopy: Spectroscopic method of measuring the magnetic moment of elementary particles such as atomic nuclei, protons or electrons. It is employed in clinical applications such as NMR Tomography (MAGNETIC RESONANCE IMAGING).Molecular Sequence Data: Descriptions of specific amino acid, carbohydrate, or nucleotide sequences which have appeared in the published literature and/or are deposited in and maintained by databanks such as GENBANK, European Molecular Biology Laboratory (EMBL), National Biomedical Research Foundation (NBRF), or other sequence repositories.Protein Binding: The process in which substances, either endogenous or exogenous, bind to proteins, peptides, enzymes, protein precursors, or allied compounds. Specific protein-binding measures are often used as assays in diagnostic assessments.Cobra Cardiotoxin Proteins: Most abundant proteins in COBRA venom; basic polypeptides of 57 to 62 amino acids with four disulfide bonds and a molecular weight of less than 7000; causes skeletal and cardiac muscle contraction, interferes with neuromuscular and ganglionic transmission, depolarizes nerve, muscle and blood cell membranes, thus causing hemolysis.Chalcones: Compounds based on CHALCONE. They are important intermediates in the formation of FLAVONOIDS.Stereoisomerism: The phenomenon whereby compounds whose molecules have the same number and kind of atoms and the same atomic arrangement, but differ in their spatial relationships. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed)Catalysis: The facilitation of a chemical reaction by material (catalyst) that is not consumed by the reaction.Furans: Compounds with a 5-membered ring of four carbons and an oxygen. They are aromatic heterocycles. The reduced form is tetrahydrofuran.Small Molecule Libraries: Large collections of small molecules (molecular weight about 600 or less), of similar or diverse nature which are used for high-throughput screening analysis of the gene function, protein interaction, cellular processing, biochemical pathways, or other chemical interactions.Substrate Specificity: A characteristic feature of enzyme activity in relation to the kind of substrate on which the enzyme or catalytic molecule reacts.Dose-Response Relationship, Drug: The relationship between the dose of an administered drug and the response of the organism to the drug.Physicochemical Phenomena: The physical phenomena describing the structure and properties of atoms and molecules, and their reaction and interaction processes.Enzyme Inhibitors: Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.Drug Discovery: The process of finding chemicals for potential therapeutic use.Chemistry, Physical: The study of CHEMICAL PHENOMENA and processes in terms of the underlying PHYSICAL PHENOMENA and processes.Drug Evaluation, Preclinical: Preclinical testing of drugs in experimental animals or in vitro for their biological and toxic effects and potential clinical applications.Inhibitory Concentration 50: The concentration of a compound needed to reduce population growth of organisms, including eukaryotic cells, by 50% in vitro. Though often expressed to denote in vitro antibacterial activity, it is also used as a benchmark for cytotoxicity to eukaryotic cells in culture.Free Radical Scavengers: Substances that influence the course of a chemical reaction by ready combination with free radicals. Among other effects, this combining activity protects pancreatic islets against damage by cytokines and prevents myocardial and pulmonary perfusion injuries.Binding, Competitive: The interaction of two or more substrates or ligands with the same binding site. The displacement of one by the other is used in quantitative and selective affinity measurements.Anti-Bacterial Agents: Substances that reduce the growth or reproduction of BACTERIA.Microbial Sensitivity Tests: Any tests that demonstrate the relative efficacy of different chemotherapeutic agents against specific microorganisms (i.e., bacteria, fungi, viruses).Peptides: Members of the class of compounds composed of AMINO ACIDS joined together by peptide bonds between adjacent amino acids into linear, branched or cyclical structures. OLIGOPEPTIDES are composed of approximately 2-12 amino acids. Polypeptides are composed of approximately 13 or more amino acids. PROTEINS are linear polypeptides that are normally synthesized on RIBOSOMES.Chemical Safety: Risk or hazard associated with the handling and use of chemicals.Animal Welfare: The protection of animals in laboratories or other specific environments by promoting their health through better nutrition, housing, and care.Clinical Laboratory Techniques: Techniques used to carry out clinical investigative procedures in the diagnosis and therapy of disease.Carbazilquinone: An alkylating agent structurally similar to MITOMYCIN and found to be effective in the treatment of leukemia and various other neoplasms in mice. It causes leukemia and thrombocytopenia in almost all human patients.Hazardous Substances: Elements, compounds, mixtures, or solutions that are considered severely harmful to human health and the environment. They include substances that are toxic, corrosive, flammable, or explosive.Norethandrolone: A synthetic hormone with anabolic and androgenic properties and moderate progestational activity.Nandrolone: C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of ESTRADIOL to resemble TESTOSTERONE but less one carbon at the 19 position.Ethylestrenol: An anabolic steroid with some progestational activity and little androgenic effect.Anabolic Agents: These compounds stimulate anabolism and inhibit catabolism. They stimulate the development of muscle mass, strength, and power.Encyclopedias as Topic: Works containing information articles on subjects in every field of knowledge, usually arranged in alphabetical order, or a similar work limited to a special field or subject. (From The ALA Glossary of Library and Information Science, 1983)Testosterone: A potent androgenic steroid and major product secreted by the LEYDIG CELLS of the TESTIS. Its production is stimulated by LUTEINIZING HORMONE from the PITUITARY GLAND. In turn, testosterone exerts feedback control of the pituitary LH and FSH secretion. Depending on the tissues, testosterone can be further converted to DIHYDROTESTOSTERONE or ESTRADIOL.Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE.Bacillus anthracis: A species of bacteria that causes ANTHRAX in humans and animals.Tetrahydrofolate Dehydrogenase: An enzyme of the oxidoreductase class that catalyzes the reaction 7,8-dihyrofolate and NADPH to yield 5,6,7,8-tetrahydrofolate and NADPH+, producing reduced folate for amino acid metabolism, purine ring synthesis, and the formation of deoxythymidine monophosphate. Methotrexate and other folic acid antagonists used as chemotherapeutic drugs act by inhibiting this enzyme. (Dorland, 27th ed) EC 1.5.1.3.Anthrax: An acute infection caused by the spore-forming bacteria BACILLUS ANTHRACIS. It commonly affects hoofed animals such as sheep and goats. Infection in humans often involves the skin (cutaneous anthrax), the lungs (inhalation anthrax), or the gastrointestinal tract. Anthrax is not contagious and can be treated with antibiotics.

Action of partially thiolated polynucleotides on the DNA polymerase alpha from regenerating rat liver. (1/32454)

The effects of partially thiolated polynucleotides on the DNA polymerase alpha from regenerating rat liver were investigated. The enzyme was isolated from the nuclear fraction essentially according to the method of Baril et al.; it was characterized as the alpha polymerase on the basis of its response to synthetic templates and its inhibition with N-ethylmaleimide. Although polycytidylic acid had no effect on the DNA polymerase alpha either as a template or as an inhibitor, partially thiolated polycytidylic acid (MPC) was found to be a potent inhibitor, its activity being directly related to its extent of thiolation (percentage of 5-mercaptocytidylate units in the polymer). In comparison, the DNA polymerase beta which was purified from normal rat liver nuclear fraction, was much less sensitive to inhibition by MPC. Analysis of the inhibition of the alpha polymerase by the method of Lineweaver and Burk showed that the inhibitory action of MPC was competitively reversible with the DNA template, but the binding of the 7.2%-thiolated MPC to the enzyme was much stronger than that of the template (Ki/Km less than 0.03). Polyuridylic acid as such showed some inhibitory activity which increased on partial thiolation, but the 8.4%-thiolated polyuridylic acid was less active than the 7.2% MPC. When MPC was annealed with polyinosinic acid, it lost 80% of its inhibitory activity in the double-stranded configuration. However, 1 to 2%-thiolated DNA isolates were significantly more potent inhibitors than were comparable (1.2%-thiolated) MPC and showed competitive reversibility with the unmodified (but "activated") DNA template. These results indicate that the inhibitory activities of partially thiolated polynucleotides depend not only on the percentage of 5-mercapto groups but also on the configuration, base composition, and other specific structural properties.  (+info)

Cooperative binding of heat shock factor to the yeast HSP82 promoter in vivo and in vitro. (2/32454)

Previous work has shown that heat shock factor (HSF) plays a central role in remodeling the chromatin structure of the yeast HSP82 promoter via constitutive interactions with its high-affinity binding site, heat shock element 1 (HSE1). The HSF-HSE1 interaction is also critical for stimulating both basal (noninduced) and induced transcription. By contrast, the function of the adjacent, inducibly occupied HSE2 and -3 is unknown. In this study, we examined the consequences of mutations in HSE1, HSE2, and HSE3 on HSF binding and transactivation. We provide evidence that in vivo, HSF binds to these three sites cooperatively. This cooperativity is seen both before and after heat shock, is required for full inducibility, and can be recapitulated in vitro on both linear and supercoiled templates. Quantitative in vitro footprinting reveals that occupancy of HSE2 and -3 by Saccharomyces cerevisiae HSF (ScHSF) is enhanced approximately 100-fold through cooperative interactions with the HSF-HSE1 complex. HSE1 point mutants, whose basal transcription is virtually abolished, are functionally compensated by cooperative interactions with HSE2 and -3 following heat shock, resulting in robust inducibility. Using a competition binding assay, we show that the affinity of recombinant HSF for the full-length HSP82 promoter is reduced nearly an order of magnitude by a single-point mutation within HSE1, paralleling the effect of these mutations on noninduced transcript levels. We propose that the remodeled chromatin phenotype previously shown for HSE1 point mutants (and lost in HSE1 deletion mutants) stems from the retention of productive, cooperative interactions between HSF and its target binding sites.  (+info)

The abundance of cell cycle regulatory protein Cdc4p is controlled by interactions between its F box and Skp1p. (3/32454)

Posttranslational modification of a protein by ubiquitin usually results in rapid degradation of the ubiquitinated protein by the proteasome. The transfer of ubiquitin to substrate is a multistep process. Cdc4p is a component of a ubiquitin ligase that tethers the ubiquitin-conjugating enzyme Cdc34p to its substrates. Among the domains of Cdc4p that are crucial for function are the F-box, which links Cdc4p to Cdc53p through Skp1p, and the WD-40 repeats, which are required for binding the substrate for Cdc34p. In addition to Cdc4p, other F-box proteins, including Grr1p and Met30p, may similarly act together with Cdc53p and Skp1p to function as ubiquitin ligase complexes. Because the relative abundance of these complexes, known collectively as SCFs, is important for cell viability, we have sought evidence of mechanisms that modulate F-box protein regulation. Here we demonstrate that the abundance of Cdc4p is subject to control by a peptide segment that we term the R-motif (for "reduced abundance"). Furthermore, we show that binding of Skp1p to the F-box of Cdc4p inhibits R-motif-dependent degradation of Cdc4p. These results suggest a general model for control of SCF activities.  (+info)

The Gab1 PH domain is required for localization of Gab1 at sites of cell-cell contact and epithelial morphogenesis downstream from the met receptor tyrosine kinase. (4/32454)

Stimulation of the hepatocyte growth factor (HGF) receptor tyrosine kinase, Met, induces mitogenesis, motility, invasion, and branching tubulogenesis of epithelial and endothelial cell lines in culture. We have previously shown that Gab1 is the major phosphorylated protein following stimulation of the Met receptor in epithelial cells that undergo a morphogenic program in response to HGF. Gab1 is a member of the family of IRS-1-like multisubstrate docking proteins and, like IRS-1, contains an amino-terminal pleckstrin homology domain, in addition to multiple tyrosine residues that are potential binding sites for proteins that contain SH2 or PTB domains. Following stimulation of epithelial cells with HGF, Gab1 associates with phosphatidylinositol 3-kinase and the tyrosine phosphatase SHP2. Met receptor mutants that are impaired in their association with Gab1 fail to induce branching tubulogenesis. Overexpression of Gab1 rescues the Met-dependent tubulogenic response in these cell lines. The ability of Gab1 to promote tubulogenesis is dependent on its pleckstrin homology domain. Whereas the wild-type Gab1 protein is localized to areas of cell-cell contact, a Gab1 protein lacking the pleckstrin homology domain is localized predominantly in the cytoplasm. Localization of Gab1 to areas of cell-cell contact is inhibited by LY294002, demonstrating that phosphatidylinositol 3-kinase activity is required. These data show that Gab1 is an important mediator of branching tubulogenesis downstream from the Met receptor and identify phosphatidylinositol 3-kinase and the Gab1 pleckstrin homology domain as crucial for subcellular localization of Gab1 and biological responses.  (+info)

Different regulation of the p53 core domain activities 3'-to-5' exonuclease and sequence-specific DNA binding. (5/32454)

In this study we further characterized the 3'-5' exonuclease activity intrinsic to wild-type p53. We showed that this activity, like sequence-specific DNA binding, is mediated by the p53 core domain. Truncation of the C-terminal 30 amino acids of the p53 molecule enhanced the p53 exonuclease activity by at least 10-fold, indicating that this activity, like sequence-specific DNA binding, is negatively regulated by the C-terminal basic regulatory domain of p53. However, treatments which activated sequence-specific DNA binding of p53, like binding of the monoclonal antibody PAb421, which recognizes a C-terminal epitope on p53, or a higher phosphorylation status, strongly inhibited the p53 exonuclease activity. This suggests that at least on full-length p53, sequence-specific DNA binding and exonuclease activities are subject to different and seemingly opposing regulatory mechanisms. Following up the recent discovery in our laboratory that p53 recognizes and binds with high affinity to three-stranded DNA substrates mimicking early recombination intermediates (C. Dudenhoeffer, G. Rohaly, K. Will, W. Deppert, and L. Wiesmueller, Mol. Cell. Biol. 18:5332-5342), we asked whether such substrates might be degraded by the p53 exonuclease. Addition of Mg2+ ions to the binding assay indeed started the p53 exonuclease and promoted rapid degradation of the bound, but not of the unbound, substrate, indicating that specifically recognized targets can be subjected to exonucleolytic degradation by p53 under defined conditions.  (+info)

The highly conserved beta-hairpin of the paired DNA-binding domain is required for assembly of Pax-Ets ternary complexes. (6/32454)

Pax family transcription factors bind DNA through the paired domain. This domain, which is comprised of two helix-turn-helix motifs and a beta-hairpin structure, is a target of mutations in congenital disorders of mice and humans. Previously, we showed that Pax-5 (B-cell-specific activator protein) recruits proteins of the Ets proto-oncogene family to bind a composite DNA site that is essential for efficient transcription of the early-B-cell-specific mb-1 promoter. Here, evidence is provided for specific interactions between Ets-1 and the amino-terminal subdomains of Pax proteins. By tethering deletion fragments of Pax-5 to a heterologous DNA-binding domain, we show that 73 amino acids (amino acids 12 to 84) of its amino-terminal subdomain can recruit the ETS domain of Ets-1 to bind the composite site. Furthermore, an amino acid (Gln22) within the highly conserved beta-hairpin motif of Pax-5 is essential for efficient recruitment of Ets-1. The ability to recruit Ets proteins to bind DNA is a shared property of Pax proteins, as demonstrated by cooperative DNA binding of Ets-1 with sequences derived from the paired domains of Pax-2 and Pax-3. The strict conservation of sequences required for recruitment of Ets proteins suggests that Pax-Ets interactions are important for regulating transcription in diverse tissues during cellular differentiation.  (+info)

Ligand substitution of receptor targeted DNA complexes affects gene transfer into hepatoma cells. (7/32454)

We have targeted the serpin enzyme complex receptor for gene transfer in human hepatoma cell lines using peptides < 30 amino acids in length which contain the five amino acid recognition sequence for this receptor, coupled to poly K of average chain length 100 K, using the heterobifunctional coupling reagent sulfo-LC SPDP. The number of sulfo-LC SPDP modified poly-L-lysine residues, as well as the degree of peptide substitution was assessed by nuclear magnetic resonance spectroscopy. Conjugates were prepared in which 3.5%, 7.8% or 26% of the lysine residues contained the sulfo-LC SPDP moiety. Each of these conjugates was then coupled with ligand peptides so that one in 370, one in 1039, or one in 5882 lysines were substituted with receptor ligand. Electron microscopy and atomic force microscopy were used to assess complex structure and size. HuH7 human hepatoma cells were transfected with complexes of these conjugates with the plasmid pGL3 and luciferase expression measured 2 to 16 days after treatment. All the protein conjugates in which 26% of the K residues were modified with sulfo-LC SPDP were poor gene transfer reagents. Complexes containing less substituted poly K, averaged 17 +/- 0.5 nm in diameter and gave peak transgene expression of 3-4 x 10(6) ILU/mg which persisted (> 7 x 10(5) ILU) at 16 days. Of these, more substituted polymers condensed DNA into complexes averaging 20 +/- 0.7 nm in diameter and gave five-fold less luciferase than complexes containing less substituted conjugates. As few as eight to 11 ligands per complex are optimal for DNA delivery via the SEC receptor. The extent of substitution of receptor-mediated gene transfer complexes affects the size of the complexes, as well as the intensity and duration of transgene expression. These observations may permit tailoring of complex construction for the usage required.  (+info)

Kinetics of oxidation of aliphatic and aromatic thiols by myeloperoxidase compounds I and II. (8/32454)

Myeloperoxidase (MPO) is the most abundant protein in neutrophils and plays a central role in microbial killing and inflammatory tissue damage. Because most of the non-steroidal anti-inflammatory drugs and other drugs contain a thiol group, it is necessary to understand how these substrates are oxidized by MPO. We have performed transient kinetic measurements to study the oxidation of 14 aliphatic and aromatic mono- and dithiols by the MPO intermediates, Compound I (k3) and Compound II (k4), using sequential mixing stopped-flow techniques. The one-electron reduction of Compound I by aromatic thiols (e.g. methimidazole, 2-mercaptopurine and 6-mercaptopurine) varied by less than a factor of seven (between 1.39 +/- 0.12 x 10(5) M(-1) s(-1) and 9.16 +/- 1.63 x 10(5) M(-1) s(-1)), whereas reduction by aliphatic thiols was demonstrated to depend on their overall net charge and hydrophobic character and not on the percentage of thiol deprotonation or redox potential. Cysteamine, cysteine methyl ester, cysteine ethyl ester and alpha-lipoic acid showed k3 values comparable to aromatic thiols, whereas a free carboxy group (e.g. cysteine, N-acetylcysteine, glutathione) diminished k3 dramatically. The one-electron reduction of Compound II was far more constrained by the nature of the substrate. Reduction by methimidazole, 2-mercaptopurine and 6-mercaptopurine showed second-order rate constants (k4) of 1.33 +/- 0.08 x 10(5) M(-1) s(-1), 5.25 +/- 0.07 x 10(5) M(-1) s(-1) and 3.03 +/- 0.07 x 10(3) M(-1) s(-1). Even at high concentrations cysteine, penicillamine and glutathione could not reduce Compound II, whereas cysteamine (4.27 +/- 0.05 x 10(3) M(-1) s(-1)), cysteine methyl ester (8.14 +/- 0.08 x 10(3) M(-1) s(-1)), cysteine ethyl ester (3.76 +/- 0.17 x 10(3) M(-1) s(-1)) and alpha-lipoic acid (4.78 +/- 0.07 x 10(4) M(-1) s(-1)) were demonstrated to reduce Compound II and thus could be expected to be oxidized by MPO without co-substrates.  (+info)

Pharmacophore based three dimensional structure activity relationship studies on a novel series of pyrimidine-7-ones as...Pharmacophore based three dimensional structure activity relationship studies on a novel series of pyrimidine-7-ones as...
TY - JOUR. T1 - Pharmacophore based three dimensional structure activity relationship studies on a novel series of pyrimidine-7-ones as selective inhibitors of cdk4. AU - Pai, Aravinda. AU - Jayashree, B. S.. AU - Jeyaprakash, R. S.. AU - Kini, Suvarna G.. AU - Lobo, Richard. PY - 2017/1/1. Y1 - 2017/1/1. N2 - Drug discovery based on the pharmacophore searching is used in the leading modification and searching programmes. In this context, it was thought appropriate to extensively perform pharmacophoric searching in our laboratory for identifying an ideal scaffold for designing an anticancer candidate that eventually could emerge out to become a CDK inhibitor. Four feature pharmacophores consisting of a dual hydrogen bond acceptor site, a hydrogen bond donor site and a positive ionic group as characteristic pharmacophoric features were developed for a novel series of pyrimidin-7-ones for the selective inhibition of CDK4. The hypothesis AADP20 resulted in a statistically reliable 3D QSAR model ...
Structure-Activity Relationship Study on Col-003, a Protein-Protein Interaction Inhibitor between Collagen and Hsp47. - PubMed...Structure-Activity Relationship Study on Col-003, a Protein-Protein Interaction Inhibitor between Collagen and Hsp47. - PubMed...
PubMed comprises more than 30 million citations for biomedical literature from MEDLINE, life science journals, and online books. Citations may include links to full-text content from PubMed Central and publisher web sites.
Effects of alkyl side chain modification of coenzyme Q<sub>10</sub> on mitochondrial respiratory chain function and...Effects of alkyl side chain modification of coenzyme Q<sub>10</sub> on mitochondrial respiratory chain function and...
TY - JOUR. T1 - Effects of alkyl side chain modification of coenzyme Q10 on mitochondrial respiratory chain function and cytoprotection. AU - Fash, David M.. AU - Khdour, Omar M.. AU - Sahdeo, Sunil J.. AU - Goldschmidt, Ruth. AU - Jaruvangsanti, Jennifer. AU - Dey, Sriloy. AU - Arce, Pablo M.. AU - Collin, Valérie C.. AU - Cortopassi, Gino A. AU - Hecht, Sidney M.. PY - 2013/4/15. Y1 - 2013/4/15. N2 - The effect of the alkyl side chain length of coenzyme Q10 on mitochondrial respiratory chain function has been investigated by the use of synthetic ubiquinone derivatives. Three analogues (3, 4 and 6) were identified that exhibited significantly improved effects on mitochondrial oxygen consumption and mitochondrial membrane potential, and also conferred significant cytoprotection on cultured mammalian cells in which glutathione had been depleted by treatment with diethyl maleate. The analogues also exhibited lesser inhibition of the electron transport chain than idebenone. The results obtained ...
Structure−Activity Relationship Studies on a Series of Novel, Substituted 1-Benzyl-5-phenyltetrazole P2X 7 AntagonistsStructure−Activity Relationship Studies on a Series of Novel, Substituted 1-Benzyl-5-phenyltetrazole P2X 7 Antagonists
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ACS Symposium on Structure-Activity Relationships in Heterogeneous Catalysis, 1990 (Meeting) - Brigham Young UniversityACS Symposium on Structure-Activity Relationships in Heterogeneous Catalysis, 1990 (Meeting) - Brigham Young University
div class=citation vocab=http://schema.org/,,i class=fa fa-external-link-square fa-fw,,/i, Data from ,span resource=http://link.lib.byu.edu/resource/elrIjMIuaD0/ typeof=Organization http://bibfra.me/vocab/lite/Meeting,,span property=name http://bibfra.me/vocab/lite/label,,a href=http://link.lib.byu.edu/resource/elrIjMIuaD0/,ACS Symposium on Structure-Activity Relationships in Heterogeneous Catalysis, 1990,/a,,/span, - ,span property=potentialAction typeOf=OrganizeAction,,span property=agent typeof=LibrarySystem http://library.link/vocab/LibrarySystem resource=http://link.lib.byu.edu/,,span property=name http://bibfra.me/vocab/lite/label,,a property=url href=http://link.lib.byu.edu/,Brigham Young University,/a,,/span,,/span,,/span,,/span,,/div ...
The most active analogues were identified at the greatest concentration of even with having an additional benzyl ring to its...The most active analogues were identified at the greatest concentration of even with having an additional benzyl ring to its...
The most active analogues were identified at the greatest concentration of even with having an additional benzyl ring to its parent compound T837
Structure-activity profiles of eleutherobin analogs and their cross- resistance in Taxol-resistant cell lines<...Structure-activity profiles of eleutherobin analogs and their cross- resistance in Taxol-resistant cell lines<...
TY - JOUR. T1 - Structure-activity profiles of eleutherobin analogs and their cross- resistance in Taxol-resistant cell lines. AU - McDaid, Hayley M.. AU - Bhattacharya, Samit K.. AU - Chen, Xiao Tao. AU - He, Lifeng. AU - Shen, Heng Jia. AU - Gutteridge, Clare E.. AU - Horwitz, Susan Band. AU - Danishefsky, Samuel J.. PY - 1999/7/8. Y1 - 1999/7/8. N2 - Purpose: Eleutherobin, a natural product, is an antimitotic agent that promotes the polymerization of stable microtubules. Although its mechanism of action is similar to that of Taxol, its structure is distinct. A structure- activity profile of synthetic eleutherobin derivatives that have modifications at C3, C8 and C15 was undertaken to define the structural requirements for microtubule stabilization and cross-resistance in Taxol- resistant cell lines. Methods: The biological activity of five eleutherobin analogs was assessed using three techniques; (1) cytotoxicity and drug- resistance in three paired Taxol-sensitive and -resistant cell lines; ...
Publikationen von Trebert-Haeberlin, S. - Publikationsserver der Universität RegensburgPublikationen von Trebert-Haeberlin, S. - Publikationsserver der Universität Regensburg
Trebert-Haeberlin, S., Lux, F., Karl, J., Spruss, Thilo und Schönenberger, Helmut (1987) Determination of platinum and biologically important trace elements in structure-activity relationship studies on platinum-containing anti-cancer drugs. Special procedures for removing phosphorus-32 as well as for the estimation of molybdenum-99 and gold-199. Journal of radioanalytical and nuclear chemistry 113 (2), S. 461-467 ...
Highly stable, anion conductive, comb-shaped copolymers for alkaline fuel cells<...Highly stable, anion conductive, comb-shaped copolymers for alkaline fuel cells<...
TY - JOUR. T1 - Highly stable, anion conductive, comb-shaped copolymers for alkaline fuel cells. AU - Li, Nanwen. AU - Leng, Yongjun. AU - Hickner, Michael A.. AU - Wang, Chao Yang. PY - 2013/7/10. Y1 - 2013/7/10. N2 - To produce an anion-conductive and durable polymer electrolyte for alkaline fuel cell applications, a series of quaternized poly(2,6-dimethyl phenylene oxide)s containing long alkyl side chains pendant to the nitrogen-centered cation were synthesized using a Menshutkin reaction to form comb-shaped structures. The pendant alkyl chains were responsible for the development of highly conductive ionic domains, as confirmed by small-angle X-ray scattering (SAXS). The comb-shaped polymers having one alkyl side chain showed higher hydroxide conductivities than those with benzyltrimethyl ammonium moieties or structures with more than one alkyl side chain per cationic site. The highest conductivity was observed for comb-shaped polymers with benzyldimethylhexadecyl ammonium cations. The ...
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Positions A and B. Exocyclic substituents on AcF-[OPdChaWR]. Three analogs (16-18) simultaneously varied substituents at positions A and B on the cyclic scaffold (Table 1). Complete removal of the acetylated Phe (16), leaving only the cyclic component, diminished receptor affinity to undetectable levels. Attaching a cinnamoyl substitutent (17) to the macrocycle reduced (26-fold) receptor affinity, but hydrocinnamyl (18) did not alter C5aR affinity or antagonist potency. The negligible affinity of the cyclic scaffold [OPdChaWR] reveals how important the exocyclic component is for high affinity with C5aR. Because the substituent at position A is not crucial for binding, the Phe side chain contributes substantially to receptor affinity. Flexibility in the exocyclic appendage is important, the trans double bond of the cinnamoyl group has low affinity for the receptor, whereas the more flexible saturated hydrocinnamoyl appendage has affinity and potency comparable with 1.. Position C. Substitution of ...
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In addition to inversion of the stereochemistry of the 15S-hydroxyl group of PGD2, various other modifications of the substituents at C15 of PGD2 have little effect on DP2-mediated responses. For example, oxidation of the hydroxyl group to a keto group, as in 13,14-dihydro-15-keto-PGD2, only slightly reduces DP2 agonist activity but completely abolishes DP1 agonist activity (Gervais et al., 2001; Hirai et al., 2001; Monneret et al., 2001). Likewise, removal of the 15-hydroxyl group coupled with the addition of a double bond to the alkyl side chain of PGD2 (15-deoxy-Δ12,14-PGD2) does not affect DP2 activity (Monneret et al., 2002) but dramatically reduces DP1-mediated responses (Bundy et al., 1983). As noted above, inversion of the stereochemistry at C15 coupled with addition of a methyl group increases potency at the DP2 receptor and nearly completely eliminates it at the DP1 receptor (Monneret et al., 2003). These findings might be interpreted to suggest that the alkyl side chain of PGD2 does ...
Synthesis and structure-activity relationship studies of novel tubulysin U analogues - effect on cytotoxicity of structural...Synthesis and structure-activity relationship studies of novel tubulysin U analogues - effect on cytotoxicity of structural...
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Bacterial lipid membranes as promising targets to fight antimicrobial resistance, molecular foundations and illustration...Bacterial lipid membranes as promising targets to fight antimicrobial resistance, molecular foundations and illustration...
Hereunder, we highlight bacterial membrane anionic lipids as attractive targets in the design of antibacterial drugs which can be effective against both Gram-positive and Gram-negative resistant bacteria. In this approach, first, molecular foundations and structure-activity relationships are laid out for membrane-targeting drugs and drug candidates from the structure and physicochemical properties of the main membrane targets, describing, as well, the corresponding identified resistances. Second, this approach is illustrated by the history of the emergence of antibacterial and antifungal amphiphilic aminoglycosides (AAGs) which are active against Gram-positive and Gram-negative resistant bacteria. AAGs have resulted from intensive medicinal chemistry development of a group of old antibiotic drugs known as aminoglycosides (AGs), which target ribosomal RNA. The aforementioned AAGs are being used towards discovering new antibiotics which are less toxic and less susceptible to resistance. The ...
9780130090560 - Options, Futures, and Other Derivatives | eCampus.com9780130090560 - Options, Futures, and Other Derivatives | eCampus.com
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Redundancy-aware learning of protein structure-function relationshipsRedundancy-aware learning of protein structure-function relationships
The protein kinases are a large family of enzymes that play a fundamental role in propagating signals within the cell. Because of the high degree of binding site similarity shared among protein kinases, designing drug compounds with high specificity among the kinases has proven difficult. However, computational approaches to comparing the 3-dimensional geometry and physicochemical properties of key binding site residues, referred to here as substructures, have been shown to be informative of inhibitor selectivity. This thesis introduces two fundamental approaches for the comparative analysis of substructure similarity and demonstrates the importance of each method on a variety of large protein structure datasets for multiple biological applications. The Family-wise Alignment of SubStructural Templates Framework (The FASST Framework) provides an unsupervised learning approach for identifying substructure clusterings. The substructure clusterings identified by FASST allow for the automatic ...
Structure-function studies on mutants of adrenal ferredoxin - MDC RepositoryStructure-function studies on mutants of adrenal ferredoxin - MDC Repository
Adrenodoxin, Escherichia Coli, Kinetics, Molecular Cloning, Point Mutation, Polymerase Chain Reaction, Protein Binding, Recombinant Proteins, Structure-Activity ...
COMPOSITIONS COMPRISING CYCLIC AMP ENHANCERS AND/OR EP LIGANDS, AND METHODS OF PREPARING AND USING THE SAME - Patent...COMPOSITIONS COMPRISING CYCLIC AMP ENHANCERS AND/OR EP LIGANDS, AND METHODS OF PREPARING AND USING THE SAME - Patent...
0041] In reference to chemicals, such as organic chemicals, "analog" or "derivative" relates to a chemical molecule that is similar to another chemical substance in structure and function, often differing structurally by a single element or group, but may differ by differ by modification of more than one group (e.g., 2, 3, or 4 groups) if it retains the same function as the parental chemical. Such modifications are routine to persons skilled in the art, and include, for example, additional or substituted chemical moieties, such as esters or amides of an acid, protecting groups such as a benzyl group for an alcohol or thiol, and tert-butoxylcarbonyl groups for an amine. Also included are modifications to alkyl side chains, such as alkyl substitutions (e.g., methyl, dimethyl, ethyl, etc.), modifications to the level of saturation or unsaturation of side chains, and the addition of modified groups such as substituted phenyl and phenoxy. Derivatives may also include conjugates, such as biotin or ...
RCSB PDB - 1AAQ: HYDROXYETHYLENE ISOSTERE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS-1 PROTEASE: STRUCTURE-ACTIVITY...RCSB PDB - 1AAQ: HYDROXYETHYLENE ISOSTERE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS-1 PROTEASE: STRUCTURE-ACTIVITY...
1AAQ: Hydroxyethylene isostere inhibitors of human immunodeficiency virus-1 protease: structure-activity analysis using enzyme kinetics, X-ray crystallography, and infected T-cell assays.
Beata Duszyńska, PhD | Department of Medicinal ChemistryBeata Duszyńska, PhD | Department of Medicinal Chemistry
Mokrosz, M. J.; Mokrosz, J. L.; Duszyńska, B.; Dereń-Wesołek, A.; Kłodzińska, A.; Kowalski, P.; Charakchieva-Minol, S.; Tatarczyńska, E.; Kowalska, T.; Majka, Z.; Chojnacka-Wójcik, E.; Misztal, S. 5-HT1A and 5-HT2A receptor affinity and functional profile of some N-[3-(4-aryl-1-piperazinyl)propyl] derivatives of indolin-2(1H)-one, quinolin-2(1H)-one and isoquinolin-1(2H)-one. Part 30: Structure-activity relationship studies of CNS agents. Pharmazie 1997, 52, 423-428 (http://www.ncbi.nlm.nih.gov/pubmed/9260266 ...
Sci. Pharm. | Free Full-Text | Synthesis and Biological Evaluation of Novel Alkyl-Imidazolyl Carbinols and their Esters: Potent...Sci. Pharm. | Free Full-Text | Synthesis and Biological Evaluation of Novel Alkyl-Imidazolyl Carbinols and their Esters: Potent...
A novel series of imidazol-5-yl carbinols and their 4-chlorobenzoyl esters has been synthesized by the Grignard reaction and subsequent esterification. These compounds were screened for their antimicrobial activities in an agar diffusion assay. The compounds with C10 to C12-alkyl side chains displayed significant antimycotic activity.
Patente US6489312 - Pharmaceutical formulations comprising aminoalkyl phosphorothioates - Google PatentesPatente US6489312 - Pharmaceutical formulations comprising aminoalkyl phosphorothioates - Google Patentes
The present invention provides novel pharmaceutical compositions comprising aminoalkyl phosphorothioate compounds in combination with surfactants, hydrotropes and chelating agents. The compositions are well-suited for subcutaneous administration.
RCSB PDB - 1EET: HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH THE INHIBITOR MSC204 Methods Report PageRCSB PDB - 1EET: HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH THE INHIBITOR MSC204 Methods Report Page
1EET: Urea-PETT compounds as a new class of HIV-1 reverse transcriptase inhibitors. 3. Synthesis and further structure-activity relationship studies of PETT analogues.
DenpokroF Forest! - WWF-Singapore Earth HourDenpokroF Forest! - WWF-Singapore Earth Hour
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Structure-Activity Relationship - MeSH - NCBIStructure-Activity Relationship - MeSH - NCBI
The relationship between the chemical structure of a compound and its biological or pharmacological activity. Compounds are often classed together because they have structural characteristics in common including shape, size, stereochemical arrangement, and distribution of functional groups.. Year introduced: 1972. PubMed search builder options. Subheadings: ...
Staff PublicationsStaff Publications
The synthesis and thermotropic properties of four homologous series of salicylaldimine-based dimer liquid crystals are reported. Two 4-(4-alkoxy-2-hydroxybenzylideneamino) benzoyloxy groups are connected to a central part consisting of a 1,3-phenylene, 1,5-pentylene, 2,2-dimethyl- 1,5-pentylene or 3,3-dimethyl-1,5-pentylene unit. The terminal alkoxy chains have been varied from 4 to 16 carbon atoms in length. All the compounds exhibit liquid crystalline phases whose behaviour depends on the nature of the central part and the length of the alkoxy terminal chains. All compounds of the series with the central phenyl part exhibit enantiotropic B-phases, and the sequence B-6 - B-1 - B-2 on increasing terminal chain length was observed. Replacement of the phenyl group with a pentyl central group partly suppresses the formation of B-phases. The longer homologues of this series show the B1 phase, while the shorter exhibit an intercalated SmCc mesophase. The introduction of methyl substituents to the ...
PředmětyPředměty
The Medicinal chemistry course deals with the drug discovery, design and development. Attention is paid to the description of the mechanism of action of drugs, to interactions of drugs with their molecular targets (e.g. enzymes and receptors), and to the study of physico-chemical properties of compounds. The relationship between biological properties (activity) of the compounds and their chemical structure (structure-activity relationship (SAR) study) is discussed as well. During the course, common classes of drugs (e.g. antibiotics, antivirals, anticancer agents) and the basics of pharmacodynamics (what the drug does to the body) and pharmacokinetics (what the body does to the drug), including ADMET (absorption, distribution, metabolism, excretion, toxicity) are also discussed. An excursion to IOCB (medicinal chemistry, virology, biochemical pharmacology) will also be part of the course ...
TIMBALTIMBAL
Structure-activity studies of a series of dipyrazolo[3,4-b:3,4-d]pyridin-3-ones binding to the immune regulatory protein B7.1 ...
Fenobam - Википедија, слободна енциклопедијаFenobam - Википедија, слободна енциклопедија
Ceccarelli, SM; Jaeschke, G; Buettelmann, B; Huwyler, J; Kolczewski, S; Peters, JU; Prinssen, E; Porter, R; et al. (2007). „Rational design, synthesis, and structure-activity relationship of benzoxazolones: New potent mglu5 receptor antagonists based on the fenobam structure". Bioorganic & medicinal chemistry letters. 17 (5): 1302-6. PMID 17189691. doi:10.1016/j.bmcl.2006.12.006 ...
Birkbeck Institutional Research OnlineBirkbeck Institutional Research Online
Mologni, L. and Rostagno, R. and Brussolo, S. and Knowles, P.P. and Kjaer, S. and Murray-Rust, J. and Rosso, E. and Zambon, A. and Scapozza, L. and McDonald, Neil Q. and Lucchini, V. and Gambacorti-Passerini, C. (2010) Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors. Bioorganic & Medicinal Chemistry 18 (4), pp. 1482-1496. ISSN 1464-3391. ...
Search Articles | University of Toronto LibrariesSearch Articles | University of Toronto Libraries
The synthesis and structure-activity relationship of a novel series of compounds with combined effects on 5-HT3A and 5-HT1A receptors and on the serotonin ...
VPX Shotgun 5X at Netrition.com.VPX Shotgun 5X at Netrition.com.
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Equatorial position more stable for large substituent? - CHEMISTRY COMMUNITYEquatorial position more stable for large substituent? - CHEMISTRY COMMUNITY
Is it ALWAYS the case that when there are substituents in a cyclic molecule, the equatorial position is more stable? (Even when the substituents are right next to each other so that one would be placed down and another up towards each other ...
Structure-Function Relationships in the IL-17 Receptor - Sarah GaffenStructure-Function Relationships in the IL-17 Receptor - Sarah Gaffen
Drugs that block pro-inflammatory cytokines or their receptors such as Enbrel (a soluble TNF1 receptor) or Anakinra (a soluble IL-1 receptor antagonist) have be...
Sildalis | Medical InformationSildalis | Medical Information
It will help you to easily restore your male power and sexual abilities and regain your self-confidence. It is a generic of the world-famous brand, so that it costs much less than the original drug.. Now there are many medications with a similar effect on the mans body. Lets look at the main characteristics of Sildalis and its differences from the other analogs ...
Single-cell phenotyping within transparent intact tissue through whole-body clearingSingle-cell phenotyping within transparent intact tissue through whole-body clearing
Understanding the structure-function relationships at cellular, circuit, and organ-wide scale requires 3D anatomical and phenotypical maps, currently unavailable for many organs across species. At the root of this knowledge gap is the absence of a method that enables whole-organ imaging. Herein, we …
Enzymatic Therapy Resveratrol-Forte High Potency 60 softgelsEnzymatic Therapy Resveratrol-Forte High Potency 60 softgels
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Structure-Based and Multiple Potential Three-Dimensional Quantitative Structure-Activity Relationship (SB-MP-3D-QSAR) for...Structure-Based and Multiple Potential Three-Dimensional Quantitative Structure-Activity Relationship (SB-MP-3D-QSAR) for...
Structure-Based and Multiple Potential Three-Dimensional Quantitative Structure-Activity Relationship (SB-MP-3D-QSAR) for Inhibitor Design
Patent US6691045 - Method for determining discrete quantitative structure activity relationships - Google PatentsPatent US6691045 - Method for determining discrete quantitative structure activity relationships - Google Patents
Method for developing a quantitative structure activity relationship that includes obtaining a training set of chemical compounds with molecular descriptors consisting of a number of multidimensional vectors with an activity class for each of the vectors; partitioning the multidimensional vectors into groups having interdependence; transforming the descriptors such that the interdependence of the groups is lessened; estimating a probability distribution of the descriptors by assuming that a probability distribution of a product of each of the groups is approximately equal to the probability distribution of the molecular descriptors; performing the partitioning, transforming and estimating steps for each of the activity classes; and, developing a probability distribution for the activity classes.
Diarylquinolines, synthesis pathways and quantitative structure-activity relationship studies leading to the discovery of...Diarylquinolines, synthesis pathways and quantitative structure-activity relationship studies leading to the discovery of...
Diarylquinolines, synthesis pathways and quantitative structure-activity relationship studies leading to the discovery of TMC207 ...
Exploring aigialomycin D and its analogues as protein kinase inhibitors for cancer targets | ScholarBank@NUSExploring aigialomycin D and its analogues as protein kinase inhibitors for cancer targets | [email protected]
The natural product aigialomycin D (1) is a member of the resorcylic acid lactone (RAL) family possessing protein kinase inhibitory activities. This paper describes the synthesis of aigialomycin D and a series of its analogues and their activity for the inhibition of protein kinases related to cancer pathways. A preliminary study of these compounds in the inhibition of CDK2/cyclin A kinase has found that aigialomycin D and analogues 11 and 23 are moderate CDK2/cyclin A inhibitors with IC 50 values of ca. 20 μM. Kinase profiling of aigialomycin D against a panel of kinases has led to the identification of MNK2 as a promising target (IC 50 = 0.45 μM), and preliminary structure-activity relationship studies have been carried out to identify the essential functional groups for activity. © 2011 American Chemical Society ...
A conformational and structure-activity relationship study of cytotoxic 3,5-bis(arylidene)-4-piperidones and related N-acryloyl...A conformational and structure-activity relationship study of cytotoxic 3,5-bis(arylidene)-4-piperidones and related N-acryloyl...
TY - JOUR. T1 - A conformational and structure-activity relationship study of cytotoxic 3,5-bis(arylidene)-4-piperidones and related N-acryloyl analogues. AU - Dimmock, J. R.. AU - Padmanilayam, M. P.. AU - Puthucode, R. N.. AU - Nazarali, A. J.. AU - Motaganahalli, N. L.. AU - Zello, G. A.. AU - Quail, J. W.. AU - Oloo, E. O.. AU - Kraatz, H. B.. AU - Prisciak, J. S.. AU - Allen, T. M.. AU - Santos, C. L.. AU - Balzarini, J.. AU - De Clercq, E.. AU - Manavathu, E. K.. PY - 2001/2/15. Y1 - 2001/2/15. N2 - A series of 3,5-bis(arylidene)-4-piperidones 1 and related N-acryloyl analogues 2 were prepared as candidate cytotoxic agents with a view to discerning those structural features which contributed to bioactivity. A number of the compounds were markedly cytotoxic toward murine P388 and L1210 leukemic cells and also to human Molt 4/C8 and CEM neoplasms. Approximately 40% of the IC50 values generated were lower than the figures obtained for melphalan. In virtually all cases, the N-acyl compounds ...
Asian Science Citation Index - Articles written by C. KarthikeyanAsian Science Citation Index - Articles written by C. Karthikeyan
A quantitative structure-activity relationship study on 6-aryl-pyrazolo (3,4-b) pyridines was performed to gain structural insight into the binding mode of the molecules to the glycogen synthase kinase -3α, an enzyme phosphorylate and inhibit Glycogen Synthase (GS) which is the rate limiting enzyme in the glycogen biosynthesis. The molecular modeling studies were performed using CS Chem. Office 2001 molecular modeling software version 6.0. Allinger`s MM2 force field by fixing Root Mean Square Gradient (RMS) to 0.1 Kcal mol-1 and semiemperical AM1 Hamiltonian method (MOPAC module) were used to minimize the energy and calculate descriptors. The thermodynamic and steric features of 6-aryl-pyrazolo (3,4-b) pyridines are highly correlated with GSK-3α inhibitory activity. The results of the study suggests that introduction of bulky groups at C-5 position of the pyrazolopyridine ring will increase the GSK-3α inhibitory potency as it may involve in hydrophobic interaction with the ATP binding site of ...
Methoxyl | definition of methoxyl by Medical dictionaryMethoxyl | definition of methoxyl by Medical dictionary
Looking for online definition of methoxyl in the Medical Dictionary? methoxyl explanation free. What is methoxyl? Meaning of methoxyl medical term. What does methoxyl mean?
Design strategies, structure activity relationship and mechanistic insights for purines as kinase inhibitors<...Design strategies, structure activity relationship and mechanistic insights for purines as kinase inhibitors<...
TY - JOUR. T1 - Design strategies, structure activity relationship and mechanistic insights for purines as kinase inhibitors. AU - Sharma, Sahil. AU - Singh, Jagjeet. AU - Ojha, Ritu. AU - Singh, Harbinder. AU - Kaur, Manpreet. AU - Bedi, P. M.S.. AU - Nepali, Kunal. PY - 2016/4/13. Y1 - 2016/4/13. N2 - Kinases control a diverse set of cellular processes comprising of reversible phosphorylation of proteins. Protein kinases play a pivotal role in human tumor cell proliferation, migration and survival of neoplasia. In the recent past, purine based molecules have emerged as significantly potent kinase inhibitors. In view of their promising potential for the inhibition of kinases, this review article focuses on purines which have progressed as kinase inhibitors during the last five years. A detailed account of the design strategies employed for the synthesis of purine analogs exerting inhibitory effects on diverse kinases has been presented. Apart from presenting the design strategies, the article ...
Institute of Cancer Research Repository - Bioisosteric Replacement and Scaffold Hopping in Lead Generation and OptimizationInstitute of Cancer Research Repository - Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization
Bioisosteric replacement and scaffold hopping are twin methods used in drug design to improve the synthetic accessibility, potency and drug like properties of a compound and to move into novel chemical space. Bioisosteric replacement involves swapping functional groups of a molecule with other functional groups that have similar biological properties. Scaffold hopping is the replacement of the core framework of a molecule with another scaffold that will improve the properties of the molecule or to find similar potent compounds that exist in novel chemical space. This review outlines the key concepts, importance and challenges of both methods using examples and comparisons of techniques available for finding bioisosteric replacements and scaffold hops. There are many methods available for bioisosteric replacement and scaffold hopping, all with their own advantages and disadvantages. Drug design projects would benefit from a combination of these methods to retrieve diverse and complimentary ...
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The structure-activity relationship studies that have been reported for cannabinoids suggest that 1) the conformation of the C-ring at the C9 position, 2) the A-ring phenolic hydroxyl, and 3) the hydrophobic side chain are important determinants for the production of analgesia, as well as other cannabinoid effects. However, either these previous structure-activity studies described for cannabinoid compounds have not been quantitative in nature or the prediction of the activity of known and unknown compounds based on molecular structure has not been tested in a comprehensive manner. In this study we describe a three-dimensional molecular modeling program using comparative molecular field analysis to derive quantitative structure-activity relationships fitting pharmacological potencies and binding affinities of cannabinoids. The analysis has proven to accurately fit the pharmacological activity of cannabinoid analogs, with cross-validated r2 values of greater than 0.3 and final analysis r2 values ...
Quantitative structure activity relationships for predicting fate and effects of chemicals in the environmentQuantitative structure activity relationships for predicting fate and effects of chemicals in the environment
To develop a predictive instrument for the assessment of environmental risks of chemical substances based on their structure-activity relationships
Cellular Apoptosis and Cytotoxicity of Phenolic Compounds: A Quantitative Structure−Activity Relationship StudyCellular Apoptosis and Cytotoxicity of Phenolic Compounds: A Quantitative Structure−Activity Relationship Study
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Repositorio da Producao Cientifica e Intelectual da Unicamp: Structure-activity Relationship Analysis Of 4-bromo-[1,1...Repositorio da Producao Cientifica e Intelectual da Unicamp: Structure-activity Relationship Analysis Of 4'-bromo-[1,1'...
Principal Component Analysis (PCA) and Artificial Neural Network (ANN) were used to analyze the relationship between the structure and the activities of a series of nine biphenylphenyl methanone derivatives against Mycobacterium tuberculosis in vitro. Both PCA and ANN were able to classify these derivatives in two categories: low active and highly active compounds. Empirical and theoretical descriptors were used in the classification process. The descriptors selected by PCA indicated that the reactivity plays an important role in the determination of antimycobacterial activity of biphenylphenyl methanone derivatives (BPM). The BPM showed a moderate activity against the M. tuberculosis strain tested with the exception of chloride-, bromide- and nitroderivatives (when X = Cl, Br, NO2) which were the most actives against M. tuberculosis in vitro among all the methanones studied ...
Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens, Buch. Romualdo Benigni - ReadRateQuantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens, Buch. Romualdo Benigni - ReadRate
Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens von Romualdo Benigni und Buchbewertungen gibt es auf ReadRate.com. Bücher können hier direkt online erworben werden.
Inhibitors of type I MetAPs containing pyridine-2-carboxylic acid thiazol-2-ylamide. Part 2: SAR studies on the pyridine ring 3...Inhibitors of type I MetAPs containing pyridine-2-carboxylic acid thiazol-2-ylamide. Part 2: SAR studies on the pyridine ring 3...
TY - JOUR. T1 - Inhibitors of type I MetAPs containing pyridine-2-carboxylic acid thiazol-2-ylamide. Part 2. T2 - SAR studies on the pyridine ring 3-substituent. AU - Luo, Qun Li. AU - Li, Jing Ya. AU - Chen, Ling Ling. AU - Li, Jia. AU - Ye, Qizhuang. AU - Nan, Fa Jun. PY - 2005/2/1. Y1 - 2005/2/1. N2 - Systematic SAR studies on the pyridine ring 3-substituent of PCAT, an inhibitor of EcMetAP1 and ScMetAP1, revealed that 3-substituents have different selectivity for EcMetAP1 and ScMetAP1. The selective inhibitors of type I MetAP are useful tools for investigating the detailed interactions between the enzymes and their inhibitors. In addition, these findings provide useful information for the design and discovery of more potent inhibitors of type I MetAPs.. AB - Systematic SAR studies on the pyridine ring 3-substituent of PCAT, an inhibitor of EcMetAP1 and ScMetAP1, revealed that 3-substituents have different selectivity for EcMetAP1 and ScMetAP1. The selective inhibitors of type I MetAP are ...
Comprehensive analysis of structure-activity relationships of a-ketoheterocycles as sn-1-diacylglycerol lipase a inhibitorsComprehensive analysis of structure-activity relationships of a-ketoheterocycles as sn-1-diacylglycerol lipase a inhibitors
Diacylglycerol lipase α (DAGLα) is responsible for the formation of the endocannabinoid 2-arachidonoylglycerol (2-AG) in the central nervous system. DAGLα inhibitors are required to study the physiological role of 2-AG. Previously, we identified the α-ketoheterocycles as potent and highly selective DAGLα inhibitors. Here, we present the first comprehensive structure-activity relationship study of α-ketoheterocycles as DAGLα inhibitors. Our findings indicate that the active site of DAGLα is remarkably sensitive to the type of heterocyclic scaffold with oxazolo-4N-pyridines as the most active framework. We uncovered a fundamental substituent effect in which electron-withdrawing meta-oxazole substituents increased inhibitor potency. (C6-C9)-acyl chains with a distal phenyl group proved to be the most potent inhibitors. The integrated SAR data was consistent with the proposed binding pose in a DAGLα homology model. Altogether, our results may guide the design of future DAGLα inhibitors as ...
Publications | KNH-UoN Ethics and Research CommitteePublications | KNH-UoN Ethics and Research Committee
J. O. Midiwo, A. Yenesew, B. F. Juma, S. Dereses, J. A. Ayoo, A. Aluoch and S. Guchu There are several described medicinal plants in Kenya from a flora of approximately 10,000 members. Strong cross-medical information from the 42 ethnic groups points to the high potential of some of these species. The Myrsinaceae are well established ethno-anthelmintics and anti-bacterials. They are harbingers of long alkyl side chain benzoquinones which clearly have a protective function from their histochemical disposition. The main benzoquinone in the sub-family Myrsinodae is embelin while for the Maesodae it is maesaquinone together with its 5-acetyl derivative; the distribution of these benzoquinones by their alkyl side chain length or the presence/absence of a 6-methyl group is in accord with morphological sub-family de-limitation. The benzoquinones showed anti-feedant, anti-microbial, phytotoxic, acaricidal, insecticidal and nematicidal activity. Many other benzoquinones of medium and minor concentration ...
Indolealkylamines and prolactin secretion a structure-activity study in the central nervous system of the ratIndolealkylamines and prolactin secretion a structure-activity study in the central nervous system of the rat
... Academic Article ...
Structure-activity relationship of truncated and substituted analogues of the intracellular delivery vector Penetratin<...Structure-activity relationship of truncated and substituted analogues of the intracellular delivery vector Penetratin<...
TY - JOUR. T1 - Structure-activity relationship of truncated and substituted analogues of the intracellular delivery vector Penetratin. AU - Fischer, Peter M.. AU - Zhelev, N. Z.. AU - Wang, S.. AU - Melville, J. E.. AU - Fåhraeus, R.. AU - Lane, D. P.. PY - 2000/2. Y1 - 2000/2. N2 - Peptides derived from the third α-helix of the homeodomain (residues 43-58; Penetratin) of Antennapedia, a Drosophila homeoprotein, were prepared by simultaneous multiple synthesis. Sets of N- and C-terminally truncated peptides, as well as a series of alanine substitution analogues, were studied. Cell penetration assays using human cell cultures with these peptides revealed that the C-terminal segment 52Arg-Arg-Met-Lys-Trp-Lys- Lys58 of the parent sequence was necessary and sufficient for efficient cell membrane translocation. Individual Ala substitutions of the peptides basic residues led to markedly decreased cell internalization ability, whereas replacement of hydrophobic residues was tolerated surprisingly ...
Can 5-methylcytosine analogues with extended alkyl side chains guide DNA methylation? - Chemical Communications (RSC Publishing)Can 5-methylcytosine analogues with extended alkyl side chains guide DNA methylation? - Chemical Communications (RSC Publishing)
5-Methylcytosine (MeC) is an endogenous modification of DNA that plays a crucial role in DNA-protein interactions, chromatin structure, epigenetic regulation, and DNA repair. MeC is produced via enzymatic methylation of the C-5 position of cytosine by DNA-methyltransferases (DNMT) which use S-adenosylmethionine (SA Nucleic Acid Modifications
Structure-function correlations of rat trigeminal primary neurons: Emphasis on club-like endings, a vibrissal mechanoreceptorStructure-function correlations of rat trigeminal primary neurons: Emphasis on club-like endings, a vibrissal mechanoreceptor
Japans largest platform for academic e-journals: J-STAGE is a full text database for reviewed academic papers published by Japanese societies
Synthesis and sar study of diarylpentanoid analogues as new anti-inflammatory agents - IIUM Repository (IRep)Synthesis and sar study of diarylpentanoid analogues as new anti-inflammatory agents - IIUM Repository (IRep)
A series of ninety-seven diarylpentanoid derivatives were synthesized and evaluated for their anti-inflammatory activity through NO suppression assay using interferone gamma (IFN-γ)/lipopolysaccharide (LPS)-stimulated RAW264.7 macrophages. Twelve compounds (9, 25, 28, 43, 63, 64, 81, 83, 84, 86, 88 and 97) exhibited greater or similar NO inhibitory activity in comparison with curcumin (14.7 ± 0.2 µM), notably compounds 88 and 97, which demonstrated the most significant NO suppression activity with IC50 values of 4.9 ± 0.3 µM and 9.6 ± 0.5 µM, respectively. A structure-activity relationship (SAR) study revealed that the presence of a hydroxyl group in both aromatic rings is critical for bioactivity of these molecules. With the exception of the polyphenolic derivatives, low electron density in ring-A and high electron density in ring-B are important for enhancing NO inhibition. Meanwhile, pharmacophore mapping showed that hydroxyl substituents at both meta- and para-positions of ring-B ...
CiNii Articles - YAMAMOTO HIROAKICiNii Articles - YAMAMOTO HIROAKI
Synthesis and structure-activity relationships of 7.BETA.-[2-(2-aminothiazol-4-yl)acetamido]-cephalosporin derivatives. III. Synthesis and antibacterial activity of 7.BETA.-[2-amino-2-(2-aminothiazol-4-yl)acetamido]cephalosporins.:III. SYNTHESIS AND ANTIBACTERIAL ACTIVITY OF 7β-[2-AMINO- 2-(2-A MINOTHIAZOL-4-YL)ACETAMIDO]CEPHALOSPORINS （1980 ...
Technology - Lytix BiopharmaTechnology - Lytix Biopharma
Figure 2: LTX-315 induces immunogenic cell death in cancer cells. When treated with LTX-315, dying cancer cells release damage-associated molecular patterns (DAMP) such as calreticulin, ATP, HMGB1, mitochondria-derived DNA (mtDNA) and formyl peptides (FMIT). DAMPs bind to specific receptors on antigen-presenting cells such as dendritic cells (DC) and promotes their maturation and engulfment of tumor-antigens with subsequent presentation to T cells and execution of effective immune response (Zhou et al, and Eike et al, Oncotarget, 2015, Zhou et al, Cell Death and Disease, 2016, Sveinbjørnsson et al, Future Medicinal Chemistry, 2017) ...
Scientific research catalyst: new ChemBioOffice 13 - Adept ScientificScientific research catalyst: new ChemBioOffice 13 - Adept Scientific
Scientists who want to keep competitive, increase their productivity and enhance decision making should take a look at PerkinElmers just-released new edition of their powerhouse informatics suite, ChemBioOffice 13.. The latest version offers powerful new toolbars, calculations and cloud-based collaboration tools for secure sharing of structures, reactions and drawings with other scientists around the world. Additional biology functionality allows for easier correlation between biological activity and chemical structures.. There are also enhancements to ChemBio3D enabling synthetic chemists and biologists to generate three-dimensional models to assess the shape and properties of compounds, polymers, proteins in a manner accessible to both chemists and biologists alike. Meanwhile, ChemBioFinder helps scientists organise their compounds effectively, search for them and transform data into graphs for structure-activity relationship analysis.. Download our top ten new features in ChemBioOffice 13 ...
Skin Sensitization Study by Quantitative Structure-Activity Relationships (QSAR) AATEX 14(3)Skin Sensitization Study by Quantitative Structure-Activity Relationships (QSAR) AATEX 14(3)
The cardiac toxicity of arsenic trioxide (ATO) was studied in chick embryos. Fertilized eggs of White Leghorns were incubated and investigated. The chick embryonic heart has been often used in pharmacologic and toxicologic experiments. After ATO at 0.25, 0.5 or 1.0 mg/egg was injected into fertilized eggs, heart rates (HRs) were measured by electrocardiogram. After low dosing of ATO, the heart rate was not different compared with control. However, HRs significantly decreased in a dose- and time-dependent manner ( ...
Leicester Research Archive: Comparison of staurosporine and four analogues: Their effects on growth, rhodamine 123 retention...Leicester Research Archive: Comparison of staurosporine and four analogues: Their effects on growth, rhodamine 123 retention...
Comparison of staurosporine and four analogues: Their effects on growth, rhodamine 123 retention and binding to P-glycoprotein in multidrug-resistant MCF-7/Adr ...
Thomas Peyret - CertaraThomas Peyret - Certara
Thomas Peyret joined Certara Strategic Consulting as an associate scientist in January 2012. His modeling experience includes population PK/PD and physiological modeling. He has performed modeling and simulation and reporting for regulatory consultancy and drug development across a range of therapeutic areas including genetic diseases and oncology. Dr. Peyret has a PhD in Public Health, from the University of Montreal (Canada). His PhD research focused on the development of tools for predicting the pharmacokinetics of environmental chemicals. His PhD modeling experience includes physiologically based pharmacokinetic and quantitative structure activity relationships.
EP 1003747 A4 20021106 - CARBAPENEMS WITH NAPHTHOSULTAM DERIVATIVE LINKED VIA METHYLENEEP 1003747 A4 20021106 - CARBAPENEMS WITH NAPHTHOSULTAM DERIVATIVE LINKED VIA METHYLENE
387509240 - EP 1003747 A4 2002-11-06 - CARBAPENEMS WITH NAPHTHOSULTAM DERIVATIVE LINKED VIA METHYLENE - [origin: WO9909032A1] The present invention relates to carbapenem antibacterial agents in which the carbapenem nucleus is substituted at the 2-position with a naphthosultam linked through a CH2 group. The napththosultam is further substituted with various substituent groups including at least one cationic group.[origin: WO9909032A1] The present invention relates to carbapenem antibacterial agents in which the carbapenem nucleus is substituted at the 2-position with a naphthosultam linked through a CH2 group. The napththosultam is further substituted with various substituent groups including at least one cationic group.
gellinggelling
As you can imagine, I couldnt do all this without offering the chemistry behind some thoughts. Pectin chemistry is quite complicated though and there are several types available (low methoxyl, high methoxyl and amidated - so far Ive only included the two first in "Texture - A hydrocolloid recipe collection"). Commercial packs of pectin for home use do normally not specify which type of pectin they contain, but I assume that it is the high methoxyl which gels in the presence of sugar and at low pH (as opposed to the low methoxyl which requires calcium ions to gel). The easiest is probably to follow the instructions that come with the pack you chose. Always add pectin before you add sugar (unless you premix them). The reason for this is that the gelling of high methoxyl pectins is promoted by sugar. If you add sugar before pectin, it will be very diffult to get the pectin properly dispersed and dissolved (it can be done with an immersion blender though - Ive tried that once). Ready to use ...
Reaction products of 1H-Imidazole-1-ethanol,... - Registration Dossier - ECHAReaction products of 1H-Imidazole-1-ethanol,... - Registration Dossier - ECHA
A test on water solubility is not required. The substance is manufactured and marketed as 40% aqueous solution. Thus, the substance is highly soluble in water (at least 400 g/L). Amphopropionates C12-18 is a UVCB substance containing C8-, C10-, C12-, C14-, C16-, and C18-alkyl side chains. Based on this and the variable composition of the compound (alkyl chain distribution dependent on origin of the coco fatty acid) the calculation of physico-chemical properties for the mixture is not feasible. To get a hint on the physico-chemical data, the EPIWIN calculation was conducted for the C8 and the C18 derivatives. The water solubilities were calculated using EPIWIN v3.20, WSKOW v1.41. The calculation yielded water solubilities of 1000000 mg/L and 1396 mg/L (at 25°C each) for the C8 and C18 derivatives, respectively, taking into account the log Kow values estimated via EPIWIN (C8: log Kow=-6.53; C18: log Kow=-1.62). Based on these results and the classification scheme the C8-derivative can be regarded ...
Plus itPlus it
With the increasing availability of small molecules, drug-like libraries, and robotic automation, the search for sortase inhibitors has now entered the era of high-throughput screening. A screen of 1000 diverse compounds for inhibition of sortase yielded a diarylacrylnitrile with an IC50 of 231 μM (Oh et al., 2004). Examination of the structure-activity relationships of this compound indicated placing the two benzene rings in the trans-orientation as a (Z)-diarylacrylonitrile lowered the IC50 to 28 μM. Further structure-activity relationship indicated that a 2,5-dimethoxy configuration was the most potent with a competitive inhibition profile. Dialysis and activity recovery experiments suggested that inhibition was reversible. Modeling studies suggested further that the phenyl rings of the inhibitor may interact with lipophilic residues of the sortase substrate binding pocket. Future work on this class of inhibitors will be needed to achieve a structural appreciation of sortase ...
ORBi: Browsing ORBiORBi: Browsing ORBi
in Bioorganic & Medicinal Chemistry (2011), 19(4), 1550-61. Indoleamine 2,3-dioxygenase (IDO) is a heme dioxygenase which has been shown to be involved in the pathological immune escape of diseases such as cancer. The synthesis and structure-activity relationships ... [more ▼]. Indoleamine 2,3-dioxygenase (IDO) is a heme dioxygenase which has been shown to be involved in the pathological immune escape of diseases such as cancer. The synthesis and structure-activity relationships (SAR) of a novel series of IDO inhibitors based on the indol-2-yl ethanone scaffold is described. In vitro and in vivo biological activities have been evaluated, leading to compounds with IC(50) values in the micromolar range in both tests. Introduction of small substituents in the 5- and 6-positions of the indole ring, indole N-methylation and variations of the aromatic side chain are all well tolerated. An iron coordinating group on the linker is a prerequisite for biological activity, thus corroborating the virtual ...
Conformationally restricted formyl methionyl tripeptide chemoattractants: a three-dimensional structure-activity study of...Conformationally restricted formyl methionyl tripeptide chemoattractants: a three-dimensional structure-activity study of...
The conformationally restricted CHO-L-Met-Xxx-L-Phe-OY (where Xxx = Aib, Ac3c, Ac5c, Ac6c, and Ac7c; Y = H, Me) tripeptides, analogs of the chemoattractant CHO-L-Met-L-Leu-L-Phe-OH, have been synthesized in solution by classical methods and fully cha
Research - Cochrane LabResearch - Cochrane Lab
Bacteria produce several polysaccharides that are essential to their structural integrity, including peptidoglycan and lipopolysaccharide. As the enzymes and intermediates involved in their biosynthesis are unique to bacteria, they are excellent antibiotic targets. In particular, the mechanism by which glycolipids are transported across cell membranes (by flippases) is poorly understood. Our lab uses the tools of organic synthesis to prepare glycolipid substrates for probing the mechanism of action of these enzymes, as well as using structure-activity relationship studies to guide inhibitor design, with the goal of developing new antibiotic candidates. ...
Plus itPlus it
Previously, a novel series of 1H-4-substituted imidazole compounds were described as potent and selective histamine (HA) H3 receptor ligands (Yates et al., 1999). The present studies extend the structure-activity relationships for optimal HA H3 receptor affinity and central nervous system penetration by incorporation of a conformationally restricted cyclopropane nucleus. Moreover, the current studies extend our understanding of ligand-receptor interactions at the HA H3 receptor with the development of high affinity HA H3 receptor antagonists containing a stereochemical presentation. Structure-activity relationships were established from in vitro HA H3receptor-binding affinities using [3H]Nα-methylhistamine and rat cortical tissue homogenates. Systematic optimization of multiple structural features critical for HA H3 receptor affinity provided some of the most potent HA H3 receptor agents described. For example, GT-2331 was determined to bind to a single population of HA H3 receptors with a K i ...
IRAK inhibitor 6 - Creative EnzymesIRAK inhibitor 6 - Creative Enzymes
A quantitative structure-activity relationship (QSAR) study of IRAK inhibitor 6 and its analogs were conducted by using the genetic algorithm and multiple linear regression (GA-MLR) method. In vitro study showed that compared with its unsubstituted phenyl amide analog, the ortho-substitution with chloro, methoxy and difluoromethoxy analogs of IRAK inhibitor 6 improved potency against IRAK-4 significantly. These potency effects were additive, with the most active example in the set being IRAK inhibitor 6, in which the presence of nitrogen-linked substituents at the para position had a beneficial effect on the rate of turnover by human microsomes (20 μL/min/mg protein ...
Most recent papers with the keyword Obesity methylation | Read by QxMDMost recent papers with the keyword Obesity methylation | Read by QxMD
PTP1B serving as a key negative regulator of insulin signaling is a novel target for type 2 diabetes and obesity. Modification at ring B of N-{4-[(3-Phenyl-ureido)-methyl]-phenyl}-methane-sulfonamide template to interact with residues Arg47 and Lys41 in the C site of PTP1B by molecular docking aided design resulted in the discovery of a series of novel high potent and selective inhibitors of PTP1B. The structure activity relationship interacting with the C site of PTP1B was well illustrated. Compounds 8 and 18 were shown to be the high potent and most promising PTP1B inhibitors with cellular activity and great selectivity over the highly homologous TCPTP and other PTPs ...
PhD Defence by Hang Zhang - University of CopenhagenPhD Defence by Hang Zhang - University of Copenhagen
Total synthesis and structure-activity relationship studies of cyclic depsipeptide YM-254890, as selective inhibitors of Gq proteins
HIV Protein Sequence/Structure Analysis in Support of Vaccine Development.HIV Protein Sequence/Structure Analysis in Support of Vaccine Development.
The CD4 molecules on the target macrophage and T cell are the primary receptors for the HIV-1 surface glycoprotein, gp120. In addition, chemokine receptors on the macrophage and T cell serve as co-receptors in the virus-cell interactions. An understanding of the mechanism of virus-cell interactions requires quantitative analyses of the structure-function correlations of the surface epitopes on gp120 which contains several constant (C) and variable (V) subdomains linked as C1-V1-V2-C2-V3-C3-V4-C4-V5-C5. The surface epitope inside the C4 loop is critical for CD4 binding. The epitopes inside the V1-V2 and V3 loops elicit HIV-1 neutralizing response as well as determine tropism, fusion, and infectivity of the virus. In absence of a high resolution structure of the entire gp120, we have adopted an alternative approach to analyzing the structural properties of these surface epitopes. For this purpose, we have combined theoretical and experimental techniques including sequence analysis, molecular modeling,
Plus itPlus it
Here we studied αRGCs because these RGCs exhibit strong structure-function correlations and are identifiable morphologically. We recognize that αRGCs only account for an estimated 4% of all mouse RGCs (Sanes and Masland, 2015), but by examining differences among these types we gained valuable insights into a major group of RGCs, which have been studied extensively and can be followed reliably across conditions. Our finding that αOFF-T RGCs die at a greater rate than αON-S RGCs is supported by previous studies that identified this type as especially vulnerable (Della Santina et al., 2013; El-Danaf and Huberman, 2015). We further demonstrate a decrease in dendritic area and complexity of αOFF-T RGCs and pruning of excitatory postsynaptic sites in all αRGC types. In accordance with the morphological changes, we found decreased spontaneous activity and RF size specific to OFF-T RGCs. Because these functional groups include non-α ganglion cells, these data raise the possibility that other ...
US Patent for 1,1 ′-[[(Substituted alkyl)imino]bis(alkylene)]bis-ferrocenes and their use in I electrochemical assays by...US Patent for 1,1 ′-[[(Substituted alkyl)imino]bis(alkylene)]bis-ferrocenes and their use in I electrochemical assays by...
Compounds of general formula I wherein Fc and Fc′ may be the same or different and are substituted ferrocenyl moieties having at least one ring substituent selected from sulfur-containing groups, phosphorus-containing groups, iodo, chloro, silyl, fluoroalkyl groups containing two or more fluorine atoms, heteroaryl, substituted phenyl, and cyano, wherein if present as sole substituent the cyano group is located on the proximal cyclopentadienyl ring; X is a spacer. Y is a spacer, Z is a spacer; and R is a linker group. Compound I may be used to make labelled substrates, functionalised compounds for making labelled substrates and may be used as labels in an electrochemical assay.
Post-doctoral position in Structural Biology of Cilia, Astbury Centre, Leeds, UK - InstructPost-doctoral position in Structural Biology of Cilia, Astbury Centre, Leeds, UK - Instruct
A post-doctoral position is available immediately in the laboratory of Dr Joe Cockburn, at the Astbury Centre, University of Leeds, UK to perform structure-function studies on ciliary proteins.. The position is funded by The Wellcome Trust and is available immediately for a period of 24 months. The start date is flexible but must be before September 2017.. The deadline for applications is Monday 16th January 2017.. More information about the position and how to apply can be found here. ...
7,8-Dihydroxyflavone7,8-Dihydroxyflavone
Discovery and development of dipeptidyl peptidase-4 inhibitorsDiscovery and development of dipeptidyl peptidase-4 inhibitors
SufentanilSufentanil
N,N-DimethyldopamineN,N-Dimethyldopamine
HordenineHordenine
Discovery and development of TRPV1 antagonistsDiscovery and development of TRPV1 antagonists
LPAR2LPAR2
5-MeO-DET5-MeO-DET
Partition coefficientPartition coefficient
FenobamFenobam
Mechanism of anoxic depolarization in the brainMechanism of anoxic depolarization in the brain
PolymyxinPolymyxin
YuehchukeneYuehchukene
List of benzodiazepinesList of benzodiazepines
Neuroeffector junctionNeuroeffector junction
EtoxadrolEtoxadrol
MacrolideMacrolide
ChlorotrianiseneChlorotrianisene
MelflufenMelflufen
NeuroprotectionNeuroprotection
RTI-229RTI-229
RTI-51RTI-51
4-Fluoromethylphenidate4-Fluoromethylphenidate
CocaineCocaine
RTI-83RTI-83
WIN-35428WIN-35428
Anatomical terms of locationAnatomical terms of location
ClorotepineClorotepine
MazindolMazindol
VanoxerineVanoxerine
Computational neuroscienceComputational neuroscience
Trade unionTrade union
CateninCatenin
Marsh ArabsMarsh Arabs
Natural farmingNatural farming
Pol PotPol Pot
EstrogenEstrogen
List of political parties in ChinaList of political parties in China
MallardMallard
PaleolithicPaleolithic
Códigos de classificação JEL - Wikipédia, a enciclopédia livreCódigos de classificação JEL - Wikipédia, a enciclopédia livre
TechnologyTechnology
OctopusOctopus
Open-source-software movementOpen-source-software movement
Internet of thingsInternet of things
MedicineMedicine
Talk:CyanobacteriaTalk:Cyanobacteria
TornadoTornado
ChiropracticChiropractic
Alkali metalAlkali metal
Commercial sexual exploitation of childrenCommercial sexual exploitation of children
El GrecoEl Greco
AntiandrogenAntiandrogen
Bengal famine of 1943Bengal famine of 1943
Neo-Piagetian theories of cognitive developmentNeo-Piagetian theories of cognitive development
Wat Phra DhammakayaWat Phra Dhammakaya
WhaleWhale
PleiotropyPleiotropy
ReptileReptile
Protonotario - VikipedioProtonotario - Vikipedio
OrganismsDiseasesChemicals and DrugsAnalytical, Diagnostic and Therapeutic Techniques and EquipmentPhenomena and ProcessesDisciplines and OccupationsAnthropology, Education, Sociology and Social PhenomenaInformation ScienceHealth Care
Quantitative Structure-Activity RelationshipStructure-Activity RelationshipMolecular StructureMescalineSalvia officinalisDrug DesignModels, MolecularMolecular ConformationModels, ChemicalBinding SitesKineticsLigandsAmino Acid SequenceProtein ConformationMagnetic Resonance SpectroscopyMolecular Sequence DataProtein BindingCobra Cardiotoxin ProteinsChalconesStereoisomerismCatalysisFuransSmall Molecule LibrariesSubstrate SpecificityDose-Response Relationship, DrugPhysicochemical PhenomenaEnzyme InhibitorsDrug DiscoveryChemistry, PhysicalDrug Evaluation, PreclinicalInhibitory Concentration 50Free Radical ScavengersBinding, CompetitiveAnti-Bacterial AgentsMicrobial Sensitivity TestsPeptidesChemical SafetyAnimal WelfareClinical Laboratory TechniquesCarbazilquinoneHazardous SubstancesNorethandroloneNandroloneEthylestrenolAnabolic AgentsEncyclopedias as TopicTestosteroneDihydrotestosteroneBacillus anthracisTetrahydrofolate DehydrogenaseAnthrax
Structure-Activity Relationship - MeSH - NCBIStructure-Activity Relationship - MeSH - NCBI
ACS Symposium on Structure-Activity Relationships in Heterogeneous Catalysis, 1990 (Meeting) - Brigham Young UniversityACS Symposium on Structure-Activity Relationships in Heterogeneous Catalysis, 1990 (Meeting) - Brigham Young University
Pharmacophore based three dimensional structure activity relationship studies on a novel series of pyrimidine-7-ones as...Pharmacophore based three dimensional structure activity relationship studies on a novel series of pyrimidine-7-ones as...
Fenobam - Википедија, слободна енциклопедијаFenobam - Википедија, слободна енциклопедија
Introduction to (Quantitative) Structure Activity Relationships - OECDIntroduction to (Quantitative) Structure Activity Relationships - OECD
OECD Quantitative Structure-Activity Relationships Project [(Q)SARs] - OECDOECD Quantitative Structure-Activity Relationships Project [(Q)SARs] - OECD
Structure-activity relationship - WikipediaStructure-activity relationship - Wikipedia
Quantitative structure-activity relationship - WikipediaQuantitative structure-activity relationship - Wikipedia
Quantitative structure-activity relationship for estrogenic flavonoids from Psoralea corylifolia. - PubMed - NCBIQuantitative structure-activity relationship for estrogenic flavonoids from Psoralea corylifolia. - PubMed - NCBI
Truncated Orexin Peptides: Structure-Activity Relationship Studies | RTITruncated Orexin Peptides: Structure-Activity Relationship Studies | RTI
Molecules | Free Full-Text | Special Issue Structure-Activity Relationship of Natural ProductsMolecules | Free Full-Text | Special Issue "Structure-Activity Relationship of Natural Products"
Proceedings | Free Full-Text | Relationship between Structure of Phenolics and Anticancer ActivityProceedings | Free Full-Text | Relationship between Structure of Phenolics and Anticancer Activity
Quantitative Structure-Activity Relationships of Aquatic Narcosis...: Ingenta ConnectQuantitative Structure-Activity Relationships of Aquatic Narcosis...: Ingenta Connect
Structure-activity relationship of naphthaldehydethiosemicarbazones in melanogenesis inhibition.Structure-activity relationship of naphthaldehydethiosemicarbazones in melanogenesis inhibition.
Patent US6691045 - Method for determining discrete quantitative structure activity relationships - Google PatentsPatent US6691045 - Method for determining discrete quantitative structure activity relationships - Google Patents
Structure-activity Relationship of P-glycoprotein Substrates and ModifiersStructure-activity Relationship of P-glycoprotein Substrates and Modifiers
21st EuroQSAR - 21st European Symposium on Quantitative Structure-Activity Relationship - Where Molecular Simulations Meet Drug...21st EuroQSAR - 21st European Symposium on Quantitative Structure-Activity Relationship - Where Molecular Simulations Meet Drug...
Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens: 1st Edition (Hardback) - RoutledgeQuantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens: 1st Edition (Hardback) - Routledge
Development of structure-activity relationship for metal oxide nanoparticles - Nanoscale (RSC Publishing)Development of structure-activity relationship for metal oxide nanoparticles - Nanoscale (RSC Publishing)
Structure-activity relationships of anabolic steroids - WikipediaStructure-activity relationships of anabolic steroids - Wikipedia
Quantitative structure antioxidant activity relationships for carotenoidsQuantitative structure antioxidant activity relationships for carotenoids
Structure-activity relationships of non-steroid anti-inflammatory drugs 1. Gastric ulcerogenic activity | SpringerLinkStructure-activity relationships of non-steroid anti-inflammatory drugs 1. Gastric ulcerogenic activity | SpringerLink
Automated Structure-Activity Relationship Mining: Connecting Chemical Structure to Biological Profiles. | Broad InstituteAutomated Structure-Activity Relationship Mining: Connecting Chemical Structure to Biological Profiles. | Broad Institute
Advancement of Structure-Activity Relationship of Multidrug Resistance-Associated Protein 2 Interactions | SpringerLinkAdvancement of Structure-Activity Relationship of Multidrug Resistance-Associated Protein 2 Interactions | SpringerLink
Combination Chemistry: Structure-Activity Relationships of Novel Psychoactive Cannabinoids | RTICombination Chemistry: Structure-Activity Relationships of Novel Psychoactive Cannabinoids | RTI
Terpenes: Natural Products for Controlling Insects of Importance to Human Health-A Structure-Activity Relationship StudyTerpenes: Natural Products for Controlling Insects of Importance to Human Health-A Structure-Activity Relationship Study
Structure-Activity Relationships of N-Cinnamoyl and Hydroxycinnamoyl Amides on α-Glucosidase InhibitionStructure-Activity Relationships of N-Cinnamoyl and Hydroxycinnamoyl Amides on α-Glucosidase Inhibition
Antiviral and quantitative structure activity relationship study for dihydropyridones derived from curcumin.Antiviral and quantitative structure activity relationship study for dihydropyridones derived from curcumin.
RCSB PDB - 4ELH: Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis...RCSB PDB - 4ELH: Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis...
Oxazolidinone Structure-Activity Relationships Leading to Linezolid - Barbachyn - 2003 - Angewandte Chemie International...Oxazolidinone Structure-Activity Relationships Leading to Linezolid - Barbachyn - 2003 - Angewandte Chemie International...
Guidance Document on the Validation of (Quantitative) Structure-Activity Relationship [(Q)SAR] ModelsGuidance Document on the Validation of (Quantitative) Structure-Activity Relationship [(Q)SAR] Models
Structure-activity relationships in aminocyclopentitol glycosidase inhibitors - Organic & Biomolecular Chemistry (RSC...Structure-activity relationships in aminocyclopentitol glycosidase inhibitors - Organic & Biomolecular Chemistry (RSC...
EuroQSAR 2016 Verona Italy, 21st European Symposium on Quantitative Structure-Activity RelationshipEuroQSAR 2016 Verona Italy, 21st European Symposium on Quantitative Structure-Activity Relationship
OrganismsDiseasesChemicals and DrugsAnalytical, Diagnostic and Therapeutic Techniques and EquipmentPhenomena and ProcessesDisciplines and OccupationsAnthropology, Education, Sociology and Social PhenomenaInformation ScienceHealth Care
Quantitative Structure-Activity RelationshipStructure-Activity RelationshipMolecular StructureMescalineSalvia officinalisDrug DesignModels, MolecularMolecular ConformationModels, ChemicalBinding SitesKineticsLigandsAmino Acid SequenceProtein ConformationMagnetic Resonance SpectroscopyMolecular Sequence DataProtein BindingCobra Cardiotoxin ProteinsChalconesStereoisomerismCatalysisFuransSmall Molecule LibrariesSubstrate SpecificityDose-Response Relationship, DrugPhysicochemical PhenomenaEnzyme InhibitorsDrug DiscoveryChemistry, PhysicalDrug Evaluation, PreclinicalInhibitory Concentration 50Free Radical ScavengersBinding, CompetitiveAnti-Bacterial AgentsMicrobial Sensitivity TestsPeptidesChemical SafetyAnimal WelfareClinical Laboratory TechniquesCarbazilquinoneHazardous SubstancesNorethandroloneNandroloneEthylestrenolAnabolic AgentsEncyclopedias as TopicTestosteroneDihydrotestosteroneBacillus anthracisTetrahydrofolate DehydrogenaseAnthrax
CompoundsMoleculesCompoundStudyQSARAnaloguesToxicitySynthesis and structure-activity relaSelectivityQuantitative structure-activity rSARsMoleculesMolecular structurePharmacological activityDescriptorsAntioxidantVitroLigandAssayBiological activitiesStructuralMedicinalSubstituentsAffinityChemicalAgonist activityAntiproliferative activityPartition coefficientSelectiveMathematical relationship2017InteractionsDIGITAL.CSICCannabinoidsAntibacterialMethodsHydroxyl
Compounds2
Molecules1
  • The squared regression coefficient of 0.89 was observed between literature value and predicted activity values of test molecules and regression coefficient value of 0.96 was observed between the literature value and the predicted activity values of training set molecules. (elsevier.com)
Compound1
Study1
QSAR27
Analogues8
Toxicity7
Synthesis and structure-activity rela2
Selectivity4
Quantitative structure-activity r1
SARs8
Molecules8
Molecular structure1
  • The effect of metal-cyclization on Tyr³-octreotate's receptor binding site was determined via three-dimensional molecular structure calculation, using two-dimensional NMR experiments as experimental constraints. (umsystem.edu)
Pharmacological activity2
Descriptors3
  • It relies on the ability to represent the chemical by one or more descriptors of which 2-dimension structure is one. (oecd.org)
  • GQSAR also considers cross-terms fragment descriptors, which could be helpful in identification of key fragment interactions in determining variation of activity. (wikipedia.org)
  • the dipole moment μ and the charge of the ligand in the complex Q l , are the explanatory and predictive quantum descriptors correlated with the values of the anti-cancer activity of the studied complexes. (scirp.org)
Antioxidant7
Vitro4
  • Conclusion: The in vitro antiviral activities of the tested dihydropyridones can be enhanced by increasing chain length of the substituent on the nitrogen atom. (biomedsearch.com)
  • and ( c ) poor correlations in some instances must be anticipated between in vivo tumorigenicity and activity in in vitro short-term tests as well as among different short-term tests. (aacrjournals.org)
  • The antifungal activity evaluation of all N-acetyl phenothiazines prepared by us in this and in a previous work, was performed in vitro against 163 isolated human pathogenic yeasts and filamentous fungi, including: Cryptococcus neoformans, Can- dida albicans, Candida non-albicans, Aspergillus and Acremonium-Fusarium. (chemaxon.com)
  • The redox potentials (between 0.25 and 0.35 V) were found to be biologically accessible for activation of the complexes in the tumor, and the indazole-containing compound shows the highest antiproliferative activity in vitro. (chemaxon.com)
Ligand4
Assay2
Biological activities2
Structural2
  • 2) A structural criteria or structure-related property data set for the same group of chemicals (i.e., the independent variables). (oecd.org)
  • Structural characteristics of anabolic androgenic steroids contributing to binding to the androgen receptor and to their anabolic and androgenic activities. (wikipedia.org)
Medicinal1
Substituents4
  • It was observed that replacement of either of these hydrogens at N1 or N3 by substituents increases the activity significantly. (biomedsearch.com)
  • It is also apparent that electronic factors (which reflect changes in the dissociation constants) and the position of electron-withdrawing substituents on aromatic groups variously influences the ulcerogenic activity in different groups of NSAI drugs. (springer.com)
  • Figure 2 shows the core structure and different substituents in general terms. (pubmedcentralcanada.ca)
  • The three nitrogen atoms of a guanidine moiety, which make it possible to bind to various substituents, as a result of a guanidine derivative show a diverse range of biochemical behavior that can be attributed to their flexible structure . (deepdyve.com)
Affinity5
Chemical10
Agonist activity4
  • An extended or bulkier group at the C17α position reduces AR agonist activity or changes the steroid into an antiandrogen . (wikipedia.org)
  • An ethynyl group (e.g., ethisterone , norethisterone ), allyl group (e.g., allylestrenol ), or vinyl group (e.g., norvinisterone ) all dramatically reduce AR agonist activity. (wikipedia.org)
  • Introduction of a double bond between the C4 and C5 positions in testosterone, otherwise known as 5α-reduction, confers several-fold increased AR agonist activity to testosterone. (wikipedia.org)
  • A hydroxyl group (instead of a ketone ) at the C3 position and/or a ketone (instead of a hydroxyl group) at the C17β can dramatically decrease AR agonist activity but render the steroid into an androgen prohormone . (wikipedia.org)
Antiproliferative activity1
  • Cinnamic acid esters, such as caffeic acid phenethyl and benzyl esters, display selective antiproliferative activity against some types of cancer cells. (mdpi.com)
Partition coefficient1
Selective2
Mathematical relationship1
20171
Interactions1
DIGITAL.CSIC1
Cannabinoids1
Antibacterial1
  • Other successful strategies are to combine existing antibacterial agents with other drugs as well as the development of improved diagnostic procedures that may lead to rapid identification of the causative pathogen and permit the use of antibacterial agents with a narrow spectrum of activity. (wiley.com)
Methods3
  • Methods for relating structure to activity range from the simple, linear regression, through more complex aproaches such as partical least squares analyisis to the most complex, machine learning techniques such as neural networks. (oecd.org)
  • These methods first identify a set of targets that are related to the target under consideration and then they employ various machine-learning techniques that utilize activity information from these targets in order to build the desired SAR model. (umn.edu)
  • Building on the interest in this enzyme, structures of DHFR from several species have been determined by both X-ray crystallography and NMR methods. (pubmedcentralcanada.ca)
Hydroxyl1
  • Attachment of esters at the C3 and/or C17β hydroxyl groups confers increased lipophilicity and hence depot activity when administered in oil via intramuscular injection . (wikipedia.org)
GABAA receptor positive allosteric modulator - Wikipedia
GABAA receptor positive allosteric modulator - Wikipedia (en.wikipedia.org)
MTOR inhibitors - Wikipedia
MTOR inhibitors - Wikipedia (en.wikipedia.org)
Serotonin-norepinephrine reuptake inhibitor - Wikipedia
Serotonin-norepinephrine reuptake inhibitor - Wikipedia (en.wikipedia.org)
Specific inhibitors of the protein tyrosine phosphatase Shp2 identified by high-throughput docking | PNAS
Specific inhibitors of the protein tyrosine phosphatase Shp2 identified by high-throughput docking | PNAS (pnas.org)
Pesticide Chemistry: Human Welfare and Environment - 1st Edition
Pesticide Chemistry: Human Welfare and Environment - 1st Edition (elsevier.com)
Nonproteinogenic deep mutational scanning of linear and cyclic peptides | PNAS
Nonproteinogenic deep mutational scanning of linear and cyclic peptides | PNAS (pnas.org)
Frontiers | A Novel Selective JAK2 Inhibitor Identified Using Pharmacological Interactions | Pharmacology
Frontiers | A Novel Selective JAK2 Inhibitor Identified Using Pharmacological Interactions | Pharmacology (frontiersin.org)
Tetracycline antibiotics - Wikipedia
Tetracycline antibiotics - Wikipedia (en.m.wikipedia.org)
Frontiers | Hit Identification of New Potent PqsR Antagonists as Inhibitors of Quorum Sensing in Planktonic and Biofilm Grown...
Frontiers | Hit Identification of New Potent PqsR Antagonists as Inhibitors of Quorum Sensing in Planktonic and Biofilm Grown... (frontiersin.org)
Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens: 1st Edition (Hardback) - Routledge
Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens: 1st Edition (Hardback) - Routledge (routledge.com)
Identification of autoinducing thiodepsipeptides from staphylococci enabled by native chemical ligation | Nature Chemistry
Identification of autoinducing thiodepsipeptides from staphylococci enabled by native chemical ligation | Nature Chemistry (nature.com)
Cheaper faster drug development validated by the repositioning of drugs against neglected tropical diseases | Journal of The...
Cheaper faster drug development validated by the repositioning of drugs against neglected tropical diseases | Journal of The... (rsif.royalsocietypublishing.org)
Structure-activity relationships of non-steroid anti-inflammatory drugs 1. Gastric ulcerogenic activity | SpringerLink
Structure-activity relationships of non-steroid anti-inflammatory drugs 1. Gastric ulcerogenic activity | SpringerLink (link.springer.com)
Medicinal Chemistry, Volume 2 - Number 5
Medicinal Chemistry, Volume 2 - Number 5 (benthamscience.com)
Development of structure-activity relationship for metal oxide nanoparticles - Nanoscale (RSC Publishing)
Development of structure-activity relationship for metal oxide nanoparticles - Nanoscale (RSC Publishing) (pubs.rsc.org)
Frontiers | Phenotypic Screen Identifies a Small Molecule Modulating ERK2 and Promoting Stem Cell Proliferation | Pharmacology
Frontiers | Phenotypic Screen Identifies a Small Molecule Modulating ERK2 and Promoting Stem Cell Proliferation | Pharmacology (frontiersin.org)
Zeitschrift für Naturforschung C
Zeitschrift für Naturforschung C (degruyter.com)
Advances and Progress in Drug Design : Pharmaceuticals : All
Advances and Progress in Drug Design : Pharmaceuticals : All (smi-online.co.uk)
Trenbolone acetate - Wikipedia
Trenbolone acetate - Wikipedia (en.m.wikipedia.org)
Quantitative Structure-Activity Relationships of Aquatic Narcosis...: Ingenta Connect
Quantitative Structure-Activity Relationships of Aquatic Narcosis...: Ingenta Connect (ingentaconnect.com)
Pure and Applied Chemistry
Pure and Applied Chemistry (degruyter.com)
6-Imino-2-thioxo-pyrimidinones as a new class of dipeptidyl peptidase IV inhibitors | SpringerLink
6-Imino-2-thioxo-pyrimidinones as a new class of dipeptidyl peptidase IV inhibitors | SpringerLink (link.springer.com)
Discovery of protein phosphatase inhibitor classes by biology-oriented synthesis | PNAS
Discovery of protein phosphatase inhibitor classes by biology-oriented synthesis | PNAS (pnas.org)
Block of NMDA receptor channels by endogenous neurosteroids: implications for the agonist induced conformational states of the...
Block of NMDA receptor channels by endogenous neurosteroids: implications for the agonist induced conformational states of the... (nature.com)
Appearance of β-lactam Resistance Genes in Agricultural Soils and Clinical Isolates over the 20 th Century | Scientific Reports
Appearance of β-lactam Resistance Genes in Agricultural Soils and Clinical Isolates over the 20 th Century | Scientific Reports (nature.com)
Automated Structure-Activity Relationship Mining: Connecting Chemical Structure to Biological Profiles. | Broad Institute
Automated Structure-Activity Relationship Mining: Connecting Chemical Structure to Biological Profiles. | Broad Institute (broadinstitute.org)
Penicillins - Pharmacology - Merck Veterinary Manual
Penicillins - Pharmacology - Merck Veterinary Manual (merckvetmanual.com)
Assessing predictive uncertainty in comparative toxicity potentials of triazoles - Golsteijn - 2013 - Environmental Toxicology...
Assessing predictive uncertainty in comparative toxicity potentials of triazoles - Golsteijn - 2013 - Environmental Toxicology... (onlinelibrary.wiley.com)
Host Defense Peptides: Immune Modulation and Antimicrobial Activity In Vivo | SpringerLink
Host Defense Peptides: Immune Modulation and Antimicrobial Activity In Vivo | SpringerLink (link.springer.com)
21st EuroQSAR - 21st European Symposium on Quantitative Structure-Activity Relationship - Where Molecular Simulations Meet Drug...
21st EuroQSAR - 21st European Symposium on Quantitative Structure-Activity Relationship - Where Molecular Simulations Meet Drug... (rsc.org)
Age and Organ Dependent Spontaneous Generation of Nuclear 8-Hydroxydeoxyguanosine in Male Fischer 344 Rats | Laboratory...
Age and Organ Dependent Spontaneous Generation of Nuclear 8-Hydroxydeoxyguanosine in Male Fischer 344 Rats | Laboratory... (nature.com)
Publications | Research groups | Imperial College London
Publications | Research groups | Imperial College London (imperial.ac.uk)
Plus it
Plus it (jneurosci.org)