387501517 - EP 0983983 A3 2000-07-05 - Combinatorial synthesis and analysis of organometallic compounds and catalysts - [origin: EP0978499A2] Methodologies for the synthesis, screening and characterisation of organometallic compounds and catalysts (eg homogenous catalysts), including combinatorial synthesis, screening and characterisation of libraries of supported and unsupported organometallic compounds and catalysts (eg homogenous catalysts). The methods can be applied to the preparation and screening of large numbers of organometallic compounds which can be used not only as catalysts (eg homogeneous catalysts), but also as additives and therapeutic agents.[origin: EP0978499A2] Methodologies for the synthesis, screening and characterisation of organometallic compounds and catalysts (eg homogenous catalysts), including combinatorial synthesis, screening and characterisation of libraries of supported and unsupported organometallic compounds and catalysts (eg homogenous catalysts). The methods can be
Dynamic combinatorial chemistry utilises reversible reactions to set up a dynamic library of molecules, with the library composition determined by the thermodynamic stability of each library member. Upon addition of a protein template, any library members which bind to the template are stabilised and amplified. Analysis of the library composition enables the identification of molecules which bind to the template protein. The suitability of two enzyme catalysed reactions catalysed by N-acetylneuraminic acid aldolase and subtilisin® Carlsberg was investigated for use in the synthesis of a DCL. A 173 component dynamic combinatorial library was successfully synthesised using these reactions with the resulting library screened against two protein template molecules, wheat germ agglutinin and Div1B. Several methods were investigated for the simplification of DCL analysis including the immobilisation of protein template molecules and the segregation of DCL proteins using semi-permiable membranes, ...
Combinatorial Chemistry & High Throughput Screening (CCHTS) publishes full length original research articles and reviews dealing with various topics related to chemical biology (High Throughput Screening, Combinatorial Chemistry, Chemoinformatics, Laboratory Automation and Compound management) in advancing drug discovery research.
Since oxidative cellular damage contributes to the development of cancers, heart disease and ageing, the synthesis of antioxidative agents which are able to either prevent or mitigate oxidative stress to cells is an important area of investigation. Combinatorial chemistry has had a profound impact on the discovery and optimisation of potential lead compounds, especially in the medicinal field. This review details recent examples of combinatorial chemistry dealing with the synthesis of novel antioxidants with an emphasis on solid phase compound synthesis and parallel library synthesis.. Full text not available from this repository.. ...
Combinatorial Chemistry & High Throughput Screening (CCHTS) publishes full length original research articles and reviews dealing with various topic...
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The goal of this thesis was to develop a method for efficiently synthesizing a large suite of asymmetric oligoester ion channel-forming compounds. A solid-phase organic synthesis (SPOS) approach on Wang resin was used to generate the ion channel candidates. A follow-on goal is to survey the compounds produced to uncover structure-related controls on ion transport activity. Two classes of building blocks were used to generate the oligoesters - head groups and cores. The core building blocks were three omega-hydroxy acid derivatives six, eight and twelve carbons in length and the alcohol protected as a tetrahydropyranyl ether. The head group building blocks were either a glutaric acid monoester derivative of varying lipophilicity (12 to 16 carbon long alkyl tail) or a beta-hydroxy acid derivative; these building blocks used a tert-butyldimethylsilyl ether for alcohol protection. Optimized conditions for building block coupling, deprotection, and product cleavage were first established by the ...
Establishing synthesis methods for a target material constitutes a grand challenge in materials research, which is compounded with use-inspired specifications on the format of the material. Solar photochemistry using thin film materials is a promising technology for which many complex materials are being proposed, and the present work describes application of combinatorial methods to explore the synthesis of predicted La-Bi-Cu oxysulfide photocathodes, in particular alloys of LaCuOS and BiCuOS. The variation in concentration of three cations and two anions in thin film materials, and crystallization thereof, is achieved by a combination of reactive sputtering and thermal processes including reactive annealing and rapid thermal processing. Composition and structural characterization establish composition-processing-structure relationships that highlight the breadth of processing conditions required for synthesis of LaCuOS and BiCuOS. The relative irreducibility of La oxides and limited diffusion ...
TentaGel® Macrobeads are highlighted by extraordinary large particle diameters and high capacities based on the TentaGel® technology and designed for single bead synthesis and single bead analysis ...
Multicomponent reactions are flexible reactions for the rapid generation of complex molecules with often biologically relevant scaffold structures. Combined with the ease of parallelization and the exploratory power with regard to chemical space, multicomponent reactions have attracted significant attention
International Scholarly Research Notices is a peer-reviewed, Open Access journal covering a wide range of subjects in science, technology, and medicine. The journals Editorial Board as well as its Table of Contents are divided into 108 subject areas that are covered within the journals scope.
The designing, synthesizing and screening of one-bead-one-compound (OBOC) combinatorial chemistry libraries against a single target ligand has been well developed. Recently, novel cholesterol/peptide hybrid combinatorial One-Bead-One-Compound (OBOC) combinatorial libraries have been developed and synthesized with self folding capabilities. The library design strategy was based on a similar pentamer and hexamer self-folding branched tricylic libraries previously developed. The cholic acid on the side chain of the carboxyl lysine is believed to interact with fixed hydrophobic amino acids at the amino-termini (position 5) of the twin branched L-amino acid arms and self-fold into a tricyclic molecule. The newly synthesized library has arginine (R) and Lysine (K) down-proportioned to 10 % for each position to decrease the probability of positive charge nonspecific binding. Thirty L-, D-, and unnatural amino acids were used in each position as building blocks. Hydrophobicity was fixed at position 5 ...
An apparatus for high-throughput combinatorial syntheses of organic molecules including a reaction vessel for containing a combinatorial-chemistry synthetic reaction, a liquid dispenser for dispensing the liquid, a liquid aspirator and an adjustment mechanism. The reaction vessel includes an ingress aperture allowing a liquid to enter into an interior of the vessel and an egress aperture for aspirating the liquid from the vessel. The liquid dispenser dispenses liquid through the ingress aperture. The liquid aspirator aspirates liquid through the egress aperture and includes a rotor for carrying the vessel and orbiting the vessel about an axis of rotation. The rotor is oriented generally in a horizontal plane and includes an adjustment mechanism for adjusting the angle of the vessel relative to the horizontal plane in response to the centrifugal force generated by orbiting the vessel about the axis of rotation. A method of combinatorial synthesis of organic molecules is also disclosed.
Systems and methods for providing in situ, controllably variable concentrations of one, two or more chemical components on a substrate to produce an integrated materials chip. The component concentrations can vary linearly, quadratically or according to any other reasonable power law with one or two location coordinates. In one embodiment, a source and a mask with fixed or varying aperture widths and fixed or varying aperture spacings are used to produce the desired concentration envelope. In another embodiment, a mask with one or more movable apertures or openings provides a chemical component flux that varies with location on the substrate, in one or two dimensions. In another embodiment, flow of the chemical components through nuzzle slits provides the desired concentrations. An ion beam source, a sputtering source, a laser ablation source, a molecular beam source, a chemical vapor deposition source and/or an evaporative source can provide the chemical component(s) to be deposited on the substrate.
Diversity-oriented synthesis yields a new drug lead for treatment of chagas disease.: A phenotypic high-throughput screen using ∼100,000 compounds prepared usin
N-Acylsulfonamides usually react with nucleophiles by acyl transfer and C-N bond fission. However, the hydrolysis of N-acyl -sultams is a sulfonyl transfer reaction that occurs with S-N fission and opening of the four-membered ring. Similar to other -sultams, the N-acyl derivatives are at least 106-fold more reactive than N-acyl sulfonamides. 3-Oxo--sultams are both -lactams and -sultams but also hydrolyze with preferential S-N bond fission.. ...
TentaGel® resins are grafted copolymers consisting of a low crosslinked polystyrene matrix on which polyethylene glycol (PEG or POE) is grafted. The PEG spacer is attached to the matrix via an ethyl ether group which increases stability towards acid treatment and minimizes PEG-leaching. As PEG is a chameleon type polymer with hydrophobic and hydrophilic properties, the graft copolymer shows modified physico chemical properties which are highly dominated by the PEG moiety (and no longer by the polystyrene matrix). These graft copolymers are pressure stable and can be used in batch processes as well as under continuous flow conditions. The PEG spacer is in the range of MW 3000 Da. This resin is synthesized from TentaGel® amine and the base labile 4-(hydroxymethyl)benzoic acid linker. It is a versatile support for the immobilization of carboxylic acids. The resulting ester bond is stable to strong acids but is cleaved by nucleophiles like amines, hydrazine or alkoxides. ...
Isogenica, Cambridge UK and Imperial College London secure funding from UKs Technology Strategy Board to develop gene library synthesis for synthetic
AIM AND OBJECTIVE: The importance of acridine core structure and other heterocycles containing its framework is well known, as they are found in numerous compounds with a variety of biological effects. Pyridine is also an important solvent and heterocyclic nucleus for the design and synthesis of novel molecules with biological properties. It occurs in several natural compounds which are used as a precursor in agrochemicals and pharmaceuticals. The utility of nanostructured metal salts because of their small size and high surface area as catalysts in organic synthesis has drawn special attention due to their better properties such as slower reaction rate, reusability of the catalyst, and higher yields of products compared to the bulk size ...
Bentham Science Publishers would like to invite you to submit your research paper for publishing in the Journal of Combinatorial Chemistr ...
PharmaSeq, Inc., is a private company located near Princeton, NJ. Its business is in developing an ultra-small microtransponder tagging platform that has broad applications for the tagging and tracking of objects used in the consumer goods, industrial goods, life sciences and eventually clinical diagnostics industries.
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A versatile copper(i)-catalyzed cascade multicomponent reaction strategy between readily available (Z)-3-iodoacrylic acids, terminal alkynes, and primary amines is reported, leading to a great diversity of complex heterocyclic backbones based on biorelevant indole/lactam scaffolds.
The use of cyclic peptides in one-bead-one-compound libraries is limited by difficulties in sequencing hit compounds. Lacking a free N-terminal amine, such peptides cannot be sequenced by the Edman degradation approach, and complex fragmentation patterns are obtained by tandem mass spectrometry. To overcome this problem, we designed an alternative approach introducing a methionine residue within the macrocycle and as a linker to allow simultaneous ring-opening and release from the resin upon treatment with cyanogen bromide. The methionine linker was inverted relative to the peptide chain to allow the synthesis of cyclic peptides anchored by a lysine side chain and to avoid the presence of two C-terminal homoserine lactones on the released linear peptides. After MALDI-TOF MS/MS analysis, the peptides released from a single bead were sequenced manually and with a de novo sequencing software. The strategy described herein is compatible with commonly used amino acids and allows sequencing of cyclic ...
Dynamic covalent chemistry (DCvC) is a synthetic strategy employed by chemists to make complex supramolecular assemblies from discrete molecular building blocks. DCvC has allowed access to complex assemblies such as covalent organic frameworks, molecular knots, polymers, and novel macrocycles. Not to be confused with dynamic combinatorial chemistry, DCvC concerns only covalent bonding interactions. As such, it only encompasses a subset of supramolecular chemistries. The underlying idea is that rapid equilibration allows the coexistence of a variety of different species among which molecules can be selected with desired chemical, pharmaceutical and biological properties. For instance, the addition of a proper template will shift the equilibrium toward the component that forms the complex of higher stability (thermodynamic template effect). After the new equilibrium is established, the reaction conditions are modified to stop equilibration. The optimal binder for the template is then extracted ...
Related Articles. Structure-Based Design of Inhibitors of the Aspartic Protease Endothiapepsin by Exploiting Dynamic Combinatorial Chemistry.. Angew Chem Int Ed Engl. 2014 Feb 14 ...
The blood-brain barrier (BBB) is a biological barrier that protects the brain from neurotoxic agents and regulates the influx and efflux of molecules required for its correct function. This stringent regulation hampers the passage of brain parenchyma-targeting drugs across the BBB. BBB shuttles have been proposed as a way to overcome this hurdle because these peptides can not only cross the BBB but also carry molecules which would otherwise be unable to cross the barrier unaided. Here we developed a new high-throughput screening methodology to identify new peptide BBB shuttles in a broadly unexplored chemical space. By introducing d-amino acids, this approach screens only protease-resistant peptides. This methodology combines combinatorial chemistry for peptide library synthesis, in vitro models mimicking the BBB for library evaluation and state-of-the-art mass spectrometry techniques to identify those peptides able to cross the in vitro assays. BBB shuttle synthesis was performed by the ...
SAN DIEGO-- Ligand Pharmaceuticals Incorporated (NASDAQ: LGND) today announced that it has agreed to divest and sell its combinatorial chemical library and associated proprietary technology to Venenum Biodesign, LLC, an affiliate of Medical Diagnostic Laboratories, LLC, members of Genesis Biotechnology Group (GBG), for $1.8 million. Under the terms of the agreement, Ligand will receive $1 million at the close of the transaction, $800,000 over the next two years and 10% of all revenues from third party collaborations for three years. The combinatorial chemistry asset, which Ligand obtained in the acquisition of Pharmacopeia in December 2008, comprises an encoded combinatorial library collection (ECLiPS) and an ultra-high throughput screening platform. "While this screening technology was valuable in the discovery of multiple drug candidates for many of our existing collaborations, it is no longer required in the service of those collaborations and going forward it is not a priority for our ...
A novel and patented platform technology is being developed to create a new method ultimately capable of sequencing over four billion bases a day. The new method will be faster, more accurate and will inaugurate a paradigm shift in the analysis of genomic information. The method is based on the development of digital multibit encoding techniques that utilise advanced magnetic technology. The project has far reaching implications related to the development of advanced systems for ultra high throughput biological assays that can be used in clinical diagnostics, drug discovery and genome sequencing. The generic technology will be capable of tagging billions of compounds synthesised by combinatorial chemistry techniques and decode them in a single experiment. The main advantages of the proposed technology are, the ability to provide remote encoding during the synthesis of chemical or biological moieties, the ability to provide an extremely large number of discrete codes and the ability to rapidly ...
A new complementary approach is proposed to identify, characterize and integrate high temperature materials into harsh environment diagnostic systems. Program partner URI will sputter candidate conductive oxides with continuously varying levels of doping. Test specimens will be fabricated and systematically assessed using combinatorial synthesis to determine which exhibit the most favorable characteristics e.g., high temperature stability, consistency, sensitivity, for sensor use. MesoScribe Technologies will apply its Mesoplasma Direct Write process, a high-precision derivative of thermal spray technology, to deposit the selected materials in precise sensor architectures. URIs experience in material characterization and ceramic oxide strain gages will be combined with MesoScribes expertise in sensor design and fabrication to achieve application-specific measurement capability in high temperature (1600C) regime of gas turbines and hypersonic structures. BENEFIT: The capability to monitor the ...
DESCRIPTION (provided by applicant): The efficiency of high throughput screening can be improved if libraries with huge diversity could be characterized for bioactivity in preliminary rounds of screening. There are currently no instruments that can characterize the bioactivities of combinatorial libraries.Intelligent Optical Systems (lOS) proposes to develop a new, inexpensive, optical instrument, based on a label less detection principle, for the rapid characterization of the bioactivities of combinatorial libraries. The proposed instrument will have sensitivities comparable to surface plasmon resonance and will measure binding events in real time. The instrument will be able to distinguish high affinity specific interactions from low affinity nonspecific binding. The proposed device consists of a laser light source, a biochip, a flow cell, a pair of detectors, and a computer for analyzing the detectors output. In Phase I, lOS will demonstrate the feasibility of using this instrument as a tool ...
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Although therapeutically targeting a single signaling pathway that drives tumor development and/or progression has been effective for a number of cancers, in many cases this approach has not been successful. Targeting networks of signaling pathways, instead of isolated pathways, may overcome this problem, which is probably due to the extreme heterogeneity of human tumors. However, the possibility that such networks may be spatially arranged in specialized subcellular compartments is not often considered in pathway-oriented drug discovery and may influence the design of new agents. Hsp90 is a chaperone protein that controls the folding of proteins in multiple signaling networks that drive tumor development and progression. Here, we report the synthesis and properties of Gamitrinibs, a class of small molecules designed to selectively target Hsp90 in human tumor mitochondria. Gamitrinibs were shown to accumulate in the mitochondria of human tumor cell lines and to inhibit Hsp90 activity by acting as ATPase
801. RNA Gene Therapy Targeting Herpes Simplex Virus. Jia Liu; Tuli, Sonal S.; Bloom, David C.; Schultz, Gregory S.; Ghivizzani, Steve C.; Lewin, Alfred S. // Molecular Therapy;Jun2006, Vol. 13, pS310 Purpose: Herpes Simplex Keratitis (HSK) is the leading cause of corneal blindness in developed nations. Despite active antiviral drugs (nucleoside analogues), there is no effective method preventing recurrent HSK. We tested the ability of ribozymes targeting the mRNAs of essential HSV genes to... ...
Firstly, we built a DDI graph, of which nodes are drugs and edges are their interactions, then applied Flody algorithm [17] to calculate the shortest distance (steps in a graph) between two drugs. The results show that the majority (73.73%) of positive pairs contains the individual drug members apart from 2 steps, whereas only the minority (42.01%) of negative pairs contains the individual drug members apart from 2 steps. Then, we simply estimated the separability between positives and negatives by 0.7373/(0.7373 + 0.4201) =0.6370. In addition, no positive pair has the member drugs are , = 5 steps from each other and very few of positive pairs have the member drugs interacting with each other. This brings the first observation that two drugs do not tend to interact with each other but are usually close to each other in DDI graph if they are combinative. Thus, we used SVD to characterize the DDI graph and extracted the DDI-based feature vectors (see also Drug-drug interaction network).. Secondly, ...
Most security vulnerabilities arise from flaws in software implementation, and are difficult to discover because they are often triggered by rarely used parts of the code. Exhaustive testing is impossible for real-world software so high assurance software is tested using methods that require extensive staff time and thus have enormous cost. Most unit and system testing only
The goal of the course is to give basic theoretical knowledge in the area of medicinal chemistry. This includes knowledge in interactions between low molecular weight compounds and proteins, DNA, and RNA, and methods for identification, design, synthesis, and evaluation of drug candidates. After completion of the course the students shall be familiar with the processes involved in the development of a drug, have a detailed understanding of the concept of ligand-receptor interaction, possess basic knowledge in methods for medicinal and combinatorial chemistry, have a broad overview of drug uptake, metabolism, and secretion, and by oneself be able to retrieve chemical, biological, and medical information from databases ...
The future of medicinal chemistry as both a pure and an applied science has been considered relative to trends that are already having a significant impact upon drug discovery and development. Such trends include pursuing therapeutic efficacy, addressing 3-D structure within database settings, assuring absorption, directing distribution, controlling metabolism, optimizing elimination, and avoiding toxicity. As the exploration of these topics proceeds by deploying combinatorial chemistry coupled to high-throughput screening, medicinal chemistry will play a key role in interpreting the underlying structureactivity relationships. This will cause the overall process of drug discovery and development to be knowledge generating. As fundamental knowledge accumulates across all of these areas, virtual approaches will eventually become firmly anchored to experimental and theoretical databases having validated clinical predictability. ...
36. ChemScreener: A Distributed Computing Tool for Scaffold based Virtual Screening,Combinatorial chemistry & high throughput screening 18(6): 544 - 561 (2015)Muthukumarasamy Karthikeyan, Deepak Pandit and Renu Vyas. DOI: 10.2174/1386207318666150703112242. View Abstract ABSTRACT: In this work we present ChemScreener, a Java-based application to perform virtual library generation combined with virtual screening in a platform-independent distributed computing environment. ChemScreener comprises a scaffold identifier, a distinct scaffold extractor, an interactive virtual library generator as well as a virtual screening module for subsequently selecting putative bioactive molecules. The virtual libraries are annotated with chemophore-, pharmacophore- and toxicophore-based information for compound prioritization. The hits selected can then be further processed using QSAR, docking and other in-silico approaches which can all be interfaced within the ChemScreener framework. As a sample application, in ...
Received: October 27, 2003; Accepted for publication: February 20, 2004; Published on Web: May 10, 2004). In the domain of chemistry, many experimental data are being accumulated by combinatorial chemistry and high throughput screening (HTS) and so on. In order to obtain benefit information from these data, a lot of methodologies of chemometrics have been developed. Since usually these numerical data are represented as multi-dimensional arrays, traditional statistical software cannot handle these data directly. In this study, we developed data modeling software, which handles multi-dimensional arrays effectively. By using this software we are able to analyze multi-dimensional data. It is possible to understand the structure of multi-dimensional data by using graphical representation such as bar graph, line graph and so on. And the data modeling method, Multi-way PLS (partial least squares) and Kohonen neural network are available for the analysis of multi- dimensional data ...
Abstract :. In past decades, dynamic covalent chemistry has shown its great potential in the area of combinatorial chemistry and molecular recognition. Nonetheless, in this area, a few reactions have been explored that can allow selective recognition of endogenous nucleophile in reversible manner at physiological pH. Iminoboronate chemistry is one of them, which allow to capture amine at neutral pH. Here, I will present, how the fundamental understanding of iminoboronate complex formation was leveraged for numerous biological applications. Iminoboronate chemistry was known, however, it was poorly understood. For the first time, my work has revealed the dynamic nature of iminoboronate formation at physiological conditions.. In this talk, I will focus first on the dynamic covalent recognition of biologically important molecules via iminoboronate chemistry. Using this unique chemistry, I developed strategies for the specific recognition of gram-positive bacteria in blood serum [1]. Importantly, ...
Abstract :. In past decades, dynamic covalent chemistry has shown its great potential in the area of combinatorial chemistry and molecular recognition. Nonetheless, in this area, a few reactions have been explored that can allow selective recognition of endogenous nucleophile in reversible manner at physiological pH. Iminoboronate chemistry is one of them, which allow to capture amine at neutral pH. Here, I will present, how the fundamental understanding of iminoboronate complex formation was leveraged for numerous biological applications. Iminoboronate chemistry was known, however, it was poorly understood. For the first time, my work has revealed the dynamic nature of iminoboronate formation at physiological conditions.. In this talk, I will focus first on the dynamic covalent recognition of biologically important molecules via iminoboronate chemistry. Using this unique chemistry, I developed strategies for the specific recognition of gram-positive bacteria in blood serum [1]. Importantly, ...
ACB Blocks, Ontario, Canada - Modern drug discovery has gathered a substantial momentum in the past few years due to the impact of combinatorial chemistry - a discipline which enables to rapidly explore structure-activity relationships (SAR) while search.
In the mid‐ to late 1990s, because of the drug discovery paradigm shift from phenotypic screens to combinatorial chemistry and high‐throughput screening, the physicochemical properties of exploratory drug molecules displayed a dramatic shift toward higher molecular weight and lipophilicity
Darvas F, Marokházi S, Kormos P, Kulkarni G, Kalász H, Papp Á, "Metabolexpert: Its Use in Metabolism Research and in Combinatorial Chemistry, in Drug Metabolism, Databases and High-Throughput Testing During Drug Design and Development", Ed. by P.W. Erhardt, IUPAC, Toledo, Ohio, pp. 237-270 (1999 ...
Metabolexpert: Its Use in Metabolism Research and in Combinatorial Chemistry, in Drug Metabolism, Databases and High-Throughput Testing During Drug Design and Development", Darvas F, Marokházi S, Kormos P, Kulkarni G, Kalász H, Papp Á, Ed. by P.W. Erhardt, IUPAC, Toledo, Ohio, pp. 237-270 (1999). ...
An edited search engine for healthcare information on the Web. Unlike generic search engines, CiteLine doesnt aim to index the Web in its entirety, only sites of interest to professionals in the pharmaceutical and healthcare industries. Every topic from R&D combinatorial chemistry to medical economics is covered, with sites carefully screened by the subject specialists in our editorial team ...
Heterocyclic chemistry is the biggest branch of chemistry covering two-third of the chemical literature The series covers hot topics of frontier research
The application of grinding method in solid-phase organic synthesis has been developing rapidly in the past two or three decades. It is more
Combinatorial libraries that contains various different 4, 5 fused 3-substituted-2-pyrrolocarboxylic acids for screening pharmacological activity and methods of synthesizing said libraries.
In engineering protein variants by constructing and screening combinatorial libraries of chimeric proteins, two complementary and competing goals are desired: the new proteins must be similar enough t
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This course is a continuation of CHEMBIO 501. The basic concepts obtained in CHEMBIO 501 will be applied to and demonstrated in three broad areas of interest to both chemists and biologists. The first topic will discuss combinatorial methods including SELEX and gene shuffling, combinatorial organic synthesis, high throughput screening and chemical genetics. The second topic will focus on signal transduction, emphasizing general concepts (at the molecular level) and how small molecules have been used to probe and modulate signal transduction pathways. The final topic will cover protein translation, stressing mechanistic aspects of protein synthesis and folding in vivo.. ...
Parallel Synthesis reaction technology ✔ Replace the Round Bottom Flask ✔ Organic Synthesis on the 0.5mL to 100mL scale ✔ Temperature range: -40 °C to 180 °C ✔ Reaction Screening → Better Chemistry
After a chemical biologist has made many novel small molecules by diversity-oriented synthesis, the next step is to find those that are useful. Molecules need to be
(2R)-Bornane-10,2-sultam 94594-90-8 NMR spectrum, (2R)-Bornane-10,2-sultam H-NMR spectral analysis, (2R)-Bornane-10,2-sultam C-NMR spectral analysis ect.
During PACE, host E. coli cells flow continuously into a fixed-volume vessel (a lagoon) containing a population of filamentous bacteriophages that encode a library of evolving proteins. The lagoon is continuously drained to a waste container after passing through an in-line luminescence monitor that measures expression from a gene III-luciferase cassette on the AP. Dilution occurs faster than cell division but slower than phage replication. Each phage carries a protein-encoding gene to be evolved instead of a phage gene (gene III) that is required for infection. Phage encoding active library members trigger expression of gene III on the AP in proportion to the desired activity and consequently produce infectious progeny. Phage encoding less active library members produce fewer infectious progeny and are lost by dilution. From: Nat. Chem. Biol. 10, 216-222 (2014). PDF. ...
mSam He ■■■,:-m- ■£.£;*■■• ■.■.••■;.::. K ■ B Digitized by the Internet Archive in 2011 with funding from Boston Library Consortium Member Libraries http://www.archive.org/details/newtoncollege1972newt A" - ** - , & #, Do you ever wonder why you came to Newton? Do you ever wonder why you stayed? Perhaps we came here to learn everything - but slowly found that a good measurement of what we know is our realization of how much more there is to learn. We thought, worried, discussed - and sometimes just let ourselves be . . . and maybe that was most important. wuunmitf BFgaKB JgrnuyCTO iEcs uumauMir. Ltth^uaH gTHBiaTCi^SHagfigB^^ PA^PJ BPJ PJ , PPPPPPPPPPPl rear I «,ytv? H9BI rwE*^ za2£-.nPi ^^^p^pl ) Bj-lh MB IBLiLIt. ■■JKP* £,*. ^B P We came to learn - from books, teachers, classes but more than that . . . ... we came to discover ourselves, alone or with each other. And in the search we realized the part of ourselves that is our work and the part of our work ...
The present invention includes composition and methods for making and using a combinatorial library to identify modified thioptamers that bind to, and affect the immune response of a host animal, transcription factors such as IL-6, NF-KB, AP-1 and the like. Composition and methods are also provided for the treatment of viral infections, as well as, vaccines and vaccine adjuvants are provided that modify host immune responses.
Deschamps, J. D., Gautschi, J. T., Whitman, S., Johnson, T. A., Gassner, N. C., Crews, P., & Holman, T. R. (2007). Discovery of platelet-type 12-human lipoxygenase selective inhibitors by high-throughput screening of structurally diverse libraries. Bioorg ...
Creative Biolabs has developed a variety of specific selection strategies for isolation of pH-sensitive scFv using our custom diverse libraries enriched in histidine.
Scientists at Rutgers and other universities build technology that could lead to rapid discovery of new medicines and biomarkers hidden in genomes
AMSBIO offers a wide range of protein such as total protein, cell lysates, recombinant proteins, purified natural proteins, and peptides.
SiliCycle MiniBlock Family consists of compact parallel reactors dedicated to chemists in pharmaceutical, academic, biopharma, petrochemical and polymer industries
Anonymous]. 2004. De novo proteins from designed combinatorial libraries.. Protein science : a publication of the Protein Society. 13(7):1711-23. ...
This focus review documents the developments in polymer synthesis that involve multicomponent reactions (MCRs) and related sequential reaction systems. Postpolymerization modification and step-growth polymerization reactions based on MCRs and sequential reactions such as the Kabachnik-Fields three-component reaction (KF-3CR) are described. Welcoming more participants in a polymer synthesis; recent years, multicomponent reactions (MCRs) have been gradually integrated into synthetic polymer chemistry, which led to a new synthetic toolbox for a range of interdisciplinary applications. In this focus review, this new trend in polymer chemistry has been summarized with including contributions from the author.
This paper reports the synthesis and screening of a combinatorial peptide library for new affinity ligands for glycosylated haemoglobin (HbA(1c)), which is an important indicator of diabetes control. The new ligands are suitable for large-scale synthesis and overcome the disadvantages of antibodies (unstable and expensive to produce etc.), while remaining as efficient as antibodies in binding to the analyte. The library consisted of 262 144 hexapeptides synthesised using the one-bead-one-compound technique. The hexapeptides attached onto beads were screened with glycosylated haemoglobin HbA(1c). The structures of the peptides exhibiting high affinity were characterised by Edman microsequencing. Computer modelling simulation of one of the lead sequences has shown that this class of ligand has a high affinity and specificity for glycosylated haemoglobin. (C) 1998 Elsevier Science S.A. All rights reserved.. ...
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International trade is stepping into the age of digitally enabled trade, driven by cross-border data flows and interoperability. Concerns for cybersecurity, privacy, and digital sovereignty have prompted the widespread implementation of trade policies regulating cross-border data flows. At present, there is a deficit of information characterizing such policies and analyzing their role in the global economy. We address this deficit through a quantitative analysis of trade in services that seeks both to categorize data-related trade policies and to evaluate the extent to which they are similar to other restrictive measures. We propose a mixture-based clustering pipeline to group trade restrictiveness data and a method for quantifying the difference between the cross-border data flow regulations and other traditional regulations. Our analysis reveals that a significant localization effect among data flow restrictions and that, while highly restrictive data flow policies generally do not overlap with other
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Perspectives, compilations, and reviews of modern drug discovery methods:. Bunin, B. A.; Bajorath, J.; Morales, G.; Siesel, B. Cheminformatics: Theory, Practice, and Products 2006, Springer-Verlag, manuscript in press, A summary of the theory and features of the available modern cheminformatics tools.. Bunin, B. A. Increasing the Efficiency of Small Molecule Drug Discovery (In response to an interview with Chris Lipinski on current challenges) Drug Discovery Today 2003, 8, 18, 823-826.. Bunin, B. A.; Dener, J. M.; Livingston, D. A. Application of Combinatorial and Parallel Synthesis to Medicinal Chemistry Annu. Rep. Med. Chem. 1999, 34, 267-286.. Bunin, B. A. The Combinatorial Index 1998, pp. 1-322, Academic Press, An exhaustive compilation on methods for the combinatorial synthesis of small molecules widely used by synthetic chemists.. Morales, G. A.; Bunin, B. A. Guest Editors, Comb. Chem. & HTS., 2004, 7, 5. 397-529. Morales, G. A.; Bunin, B. A. Editors, Methods Enzymol., 2003, 369, ...
The selection, acquisition, and use of high‐quality small molecule libraries for screening is an essential aspect of drug discovery and chemical biology programs
DNA-encoded chemical libraries (DEL) is a technology for the synthesis and screening on unprecedented scale of collections of small molecule compounds. DEL is used in medicinal chemistry to bridge the fields of combinatorial chemistry and molecular biology. The aim of DEL technology is to accelerate the drug discovery process and in particular early phase discovery activities such as target validation and hit identification. DEL technology involves the conjugation of chemical compounds or building blocks to short DNA fragments that serve as identification bar codes and in some cases also direct and control the chemical synthesis. The technique enables the mass creation and interrogation of libraries via affinity selection, typically on an immobilized protein target. A homogeneous method for screening DNA-encoded libraries has recently been developed which uses water-in-oil emulsion technology to isolate, count and identify individual ligand-target complexes in a single-tube approach. In contrast ...
Search for Identifying A Library Member By Means Of A Tag, Label, Or Other Readable Or Detectable Entity Associated With The Library Member (e.g., Decoding Process, Etc.) Patents and Patent Applications (Class 506/4) Filed with the USPTO
Combinatorial synthesis is an efficient tool that can be used to discover new materials. It allows one to systemically study a large number of materials simultaneously as their physical properties change with the varying chemical composition. Using this technique, we study various multifunctional electronic materials. Different designs of libraries, such as discrete libraries and composition spreads, are fabricated and characterized in order to rapidly map composition-structure-property relationships in a variety of systems. We have made gas sensor device libraries to optimize the performance of gas sensing materials. We have utilized the combinatorial pulsed laser deposition (PLD) flange for fabricating the discrete device library of doped SnO2 thin films. Several libraries were made with different amounts of dopants such as In2O3, WO3, ZnO, Pt, and Pd. After exposing the whole library to chloroform, formaldehyde, and benzene gases, the compositions most sensitive to these gases were found. We ...
The Group of Nanomaterials and Microsystems has established as its main research goal the synergy between basic research in Nanoscience and Nanotechnology with the technological development of new tools to prepare and characterize materials at the nanoscale. The GNaM is one of the few groups in Europe working in nanocalorimetry of low dimensional systems and in the combinatorial synthesis and characterization of thin layers prepared by physical vapour deposition (PVD). Our group has also a wide experience in the study of transformation kinetics associated to nucleation and growth processes. Simultaneously, the group has developed and patented a high throughput analysis methodology based on membrane-based microchips to the study of phase transformations in thin films. The innovative and efficient synergy between synthesis and thermal characterization tools has brought the GNaM to an international recognition in the area of Nanoscience and Nanotechnology. Our team is formed by Javier Rodr guez Viejo,
UOP LLC, a Honeywell Company, Ford Motor Company, and Striatus, Inc., collaborated with Professor Craig Jensen of the University of Hawaii and Professor Vidvuds Ozolins of University of California, Los Angeles on a multi-year cost-shared program to discover novel complex metal hydrides for hydrogen storage. This innovative program combined sophisticated molecular modeling with high throughput combinatorial experiments to maximize the probability of identifying commercially relevant, economical hydrogen storage materials with broad application. A set of tools was developed to pursue the medium throughput (MT) and high throughput (HT) combinatorial exploratory investigation of novel complex metal hydrides for hydrogen storage. The assay programs consisted of monitoring hydrogen evolution as a function of temperature. This project also incorporated theoretical methods to help select candidate materials families for testing. The Virtual High Throughput Screening served as a virtual laboratory, calculating
Autori: Oprea, Tudor I.; Zamora, Ismael; Ungell, Anna-Lena. Editorial: Journal of Combinatorial Chemistry, 4, p.258-266, 2002.. Rezumat:. ChemGPS, the chem. global positioning system, is a tool that combines rules (equiv. to dimensions) and objects (chem. structures) to provide a consistent chem. space map (Oprea, T. I.; Gottfries, J. J. Comb. Chem. 2001, 3, 157-166.). Rules included, initially, general properties such as size, lipophilicity, and hydrogen bond capacity, while objects include „satellites", intentionally placed outside the druglike space, as well as „core" objects, mostly orally available drugs. ChemGPS mols. (objects) were used in conjunction with the VolSurf (http://www.moldiscovery.com) descriptors (rules), which are relevant for ADME (absorption, distribution, metab., and excretion) properties. The combination of ChemGPS and VolSurf, GPSVS, was investigated with respect to the biopharmaceutics classification system, which is recommended by the Food and Drug Administration ...
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Autor: Müller, Oliver et al.; Genre: Zeitschriftenartikel; Im Druck veröffentlicht: 2004; Keywords: bioorganic chemistry • combinatorial chemistry • library screening • medicinal chemistry • signal transduction; Titel: Identification of potent Ras signaling inhibitors by pathway-selective phenotype-based screening
... , title = "Optimisation of Polystyrene Resin-supported Pt Catalysts in Room Temperature, Solvent-less, Oct-l-ene Hydrosilylation using Methyldichlorosilane", journal = "Combinatorial Chemistry & High Throughput Screening", parent_itemid = "infobike://ben/cchts", publishercode ="ben", year = "2002", volume = "5", number = "3", publication date ="2002-05-01T00:00:00", pages = "201-209", itemtype = "ARTICLE", issn = "1386-2073", url = "https://www.ingentaconnect.com/content/ben/cchts/2002/00000005/00000003/art00003", doi = "doi:10.2174/1386207024607293", keyword = "pt catalyst, solid phase peptide synthesis, solid support, polystyrene resin-support", author = "Drake, R. and Dunn, R. and Sherrington, D.C. and Thomson, S.J.", abstract = "Six precursor resins with systematic variation of porous parameters were prepared by suspension polymerisation using specific compositions of divinylbenzene, styrene vinylbenzyl chloride (VBC) and 2- ethylhexan-l-ol (a porogen). ...
I think that the reason for this lack of interest in solubility measurements relates to the way synthetic organic chemists have learned to think about their workflows. Generally, the researcher sets up an experiment with the intention of preparing and isolating a specific compound. The role of the solvent is usually just to solubilize the reactants - it is then commonly evaporated for chromatographic purification of the product. Even in combinatorial chemistry experiments where products are not purified for a rough screening, the expectation is that compounds of interest will be purified and characterized at some point ...
Location: Montr al, Quebec, Canada. Daniel Chelsky, PhD, is the chief scientific officer at Caprion, a company using mass spectrometry and multiparametric flow cytometry to discover and validate biomarkers of disease and drug efficacy, drug mechanism of action and new targets for disease intervention. Previously he served as president of BioSignal, Inc., a subsidiary of PerkinElmer focused on G-protein coupled receptor related research and reagents.. He has also held positions as senior director of biology at Pharmacopeia, a combinatorial chemistry company, director of drug discovery at Onyx Pharmaceuticals, and principal investigator at DuPont Merck Pharmaceuticals. He received his PhD at the University of Oregon and was an American Cancer Society fellow at the University of California, Berkeley.. ...
A variety of proven techniques, such as filtration, dialysis, liquid/liquid extraction and Solid Phase Extraction (SPE), are routinely adopted in todaylj analytical laboratories to resolve the vast array of sample preparation demands. SPE has established itself as one of the most popular and flexible tools within the analytical laboratory; providing effective, efficient sample concentration and purification prior to HPLC, LC/MS, GC or GC/MS and adaptation to automated techniques such as combinatory chemistry. The resultant SPE product range provides unparalleled performances and satisfies the clients demand for Recovery, Reliability and Reproducibility ...
Chapter 1: Combinatorial Materials Science: Measures of Success (Michael J. Fasolka and Eric J. Amis). Chapter 2: Experimental Design in High Throughput Systems (James N. Cawse).. Chapter 3: Polymeric Discrete Libraries for High-Throughput Materials Science: Conventional and Microfluidic Library Fabrication and Synthesis (Kathryn L. Beers and Brandon M. Vogel).. Chapter 4: Strategies in the Use of Atomic Force Microscopy as a Multiplexed Readout Tool of Chip-Scale Protein Motifs (Jeremy R. Kenseth, Karen M. Kwarta, Jeremy D. Driskell, and Marc D. Porter, John D. Neill and Julia F. Ridpath).. Chapter 5: Informatics Methods for Combinatorial Materials Science (Changwon Suh, Krishna Rajana, Brandon M. Vogel, Balaji Narasimhan, and Surya K. Mallapragada).. Chapter 6: Combinatorial Approaches and Molecular Evolution of Homogeneous Catalysts (L. Keith Woo).. Chapter 7: Biomaterials Informatics (Nicole K. Harris, Joachim Kohn, W.J. Welsh, and Doyle Knight).. Chapter 8: Combinatorial Methods and their ...
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An efficient method to synthesize positional scanning synthetic combinatorial libraries (PS-SCLs) for studying the specificity of protein kinases is presented. Isokinetic ratios for pentafluorophenyl esters were determined iteratively using a new approach incorporating high performance liquid chromatography (HPLC) quantification and statistical experimental design. In the development process a large amount of work was put in to find efficient ways of screening for new isokinetic mixtures and to optimize the process of PS-SCL synthesis. The newly developed methods for the screening of isokinetic mixtures could be used for the screening of other interesting mixtures, but more importantly, the isokinetic ratios determined for the preactivated pentafluorophenyl esters were incorporated into a new efficient protocol. This straightforward protocol allows for a convenient synthesis of high quality PS-SCLs regardless of previous experience in solid phase synthesis.
Real-time reaction monitoring based on a combination of thin-layer chromatography (TLC) and compact mass spectrometry (CMS) is a simple and quick way for chemists to overcome synthetic challenges and optimize chemical reactions in the modern laboratory. Peptides of pharmaceutical interest can be readily synthesized following a rapid, continuous solution-phase synthesis strategy based on Fmoc protected amino acid building blocks. A simple model for such a reaction is the growing of analogues of the acyl carrier protein (ACP), a component of the fatty acid synthesis pathway.. ...
Diffusion ordered spectroscopy (DOSY) NMR experiments have been used to characterize a dynamic combinatorial library of helical strands and grid-type metallosupramolecular architectures. The technique allows the deconvolution of very similar chemical structures differing only by their hydrodynamic radius. Moreover, the occurrence of springlike, extension-contraction conformational motions in helical strands can be revealed as a function of the temperature. ...
Sorrento Therapeutics, Inc. (OTC Bulletin Board: SRNE) today announced that it has completed the construction of an extensive library of full-length, fully human monoclonal antibodies
ACS Short Course Computational Chemistry and Computer-Assisted Drug Design: Practical Approaches 230th ACS National Meeting Washington Convention Center, Washington, DC Friday-Saturday, August 26-27, 2005 This introductory level course is designed for organic chemists, pharmaceutical chemists, and biochemists who are interested in learning more about computational and combinatorial methods, or scientists who need to develop a working knowledge of the fundamentals and need to understand the concepts and terminology of this rapidly developing area. Program Overview of Computational Chemistry and Computer-Assisted Drug Design Molecular Mechanics: Background, Development, Concepts, Force Fields Conformational Searching Molecular Dynamics Simulations: Background, Development, Concepts, and Applications Protein Structure Prediction Overview of Quantum Chemistry Methods and Its Application to Drug Design DNA and Protein Sequence and Structure Analysis Drug Design Methods and Pharmacophore Design QSAR ...
Good methods must be reliable, well-tested, and honed to minimize the time and expense required to achieve the desired results. CPNC provides a continuously growing and evolving set of protocols that allows researchers to benefit from the experience of other researchers around the world. The core manual provides a comprehensive set of protocols that have been compiled, revised, and streamlined over the last 6 years. Quarterly updates provide new protocols in emerging areas of research as well as continued advances and new applications for fundamental methods. The book is designed to grow and change with the field of nucleic acid chemistry. Fundamental nucleoside chemistry methods include sugar-base condensation, phosphorylation, and nucleoside protection. Methods for oligonucleotide synthesis include H-phosphonate and phosphoramidite approaches, solid-phase and solution-phase synthesis, large-scale synthesis, synthesis for modified and unmodified oligonucleotides, conjugation of ...
Mark Wheelis Biology is in the midst of what can only be described as a revolution. It began in the mid-1970s with the development of recombinant DNA technology. Slowly at first but with increasing speed, related technologies have been developed that have dramatically expanded the experimental capabilities of modern research biologists and that are rapidly being adopted in such areas of applied biology as drug development. These new technologies include genomics, proteomics, microarray technology, high-throughput screening techniques, combinatorial methods in both chemistry and biology, site-specific mutagenesis, knock-out mice, and many others.[1] Collectively, these technologies are referred to as genomic sciences, or the "new biology.". This technology will have great power both for peaceful and hostile uses. Peaceful applications will include a wide range of new therapeutic agents of much greater specificity and safety than are currently available; hostile applications could include a wide ...
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IMSEAR is the collaborative product of Health Literature, Library and Information Services (HELLIS) Network Member Libraries in the WHO South-East Asia Region ...
IMSEAR is the collaborative product of Health Literature, Library and Information Services (HELLIS) Network Member Libraries in the WHO South-East Asia Region ...
The fct L10-FeNi alloy is a promising candidate for the development of high performance critical-elements-free magnetic materials. Among the different materials, the Au-Cu-Ni alloy has resulted very promising; however, a detailed investigation of the effect of the buffer-layer composition on the formation of the hard FeNi phase is still missing. To accelerate the search of the best Au-Cu-Ni composition, a combinatorial approach based on High-Throughput (HT) experimental methods has been exploited in this paper. HT magnetic characterization methods revealed the presence of a hard magnetic phase with an out-of-plane easy-axis, whose coercivity increases from 0.49 kOe up to 1.30 kOe as the Au content of the Cu-Au-Ni buffer-layer decreases. Similarly, the out-of-plane magneto-crystalline anisotropy energy density increases from 0.12 to 0.35 MJ/m3. This anisotropy is attributed to the partial formation of the L10 FeNi phase induced by the buffer-layer. In the range of compositions we investigated, the buffer