Ligands against protein targets. Medical search. Frequent questions

Ligand choice is based on receptor expression, ligand internalization, binding affinity, and type of ligand. (wikipedia.org)
DrugScore(CSD)-knowledge-based scoring function derived from small molecule crystal data with superior recognition rate of near-native ligand poses and better affinity prediction. (uni-marburg.de)
in others, the target protein is expressed from a plasmid that encodes for an "affinity tag" specific to a particular ligand. (the-scientist.com)
This project aims to develop a revolutionary screening platform that will allow for the rapid isolation of hundreds of high affinity and specificity synthetic ligands for proteins in a highly parallel fashion. (nih.gov)
Particularly, MolCode not only consistently generates valid (99.95% Validity) and diverse (98.75% Uniqueness) molecular graphs/structures with desirable properties, but also generate drug-like molecules with high affinity to target proteins (61.8% high affinity ratio), which demonstrates MolCode's potential applications in material design and drug discovery. (biorxiv.org)
The key feature of this technology is the ability to measure affinity either using a recombinant proteins or proteins expressed in a cell lysate with greater precision. (cedars-sinai.edu)
The binding affinity of these compounds against the target proteins and their pharmacokinetic properties were checked. (researchsquare.com)

Using X-ray crystallography as a tool for the study of protein: ligand complexes is a powerful and high throughput approach, but cannot elucidate many of the atomic details of the types of interactions involved. (cea.fr)
Specific steroid receptors in the cell cytoplasm bind to ligands for steroid hormone-receptor complexes that occsionally translocate to the cell nucleus. (bvsalud.org)
The complexes may induce transcription of messenger RNA, leading to the synthesis of new proteins. (bvsalud.org)
This thesis work aims to replace Ru polipyridyl complexes by Fe carbene complexes, that by clever ligand design have approached suitable photosensitiser properties. (lu.se)
For the Fe(II) carbene complexes investigated, small changes in the ligand structure influenced both what excited state (charge-transfer or metal-centred) that was mainly populated and the lifetime of the state. (lu.se)
For the Fe(III) carbene complexes investigated, there was instead one dominating charge-transfer excited state that was rather unaffected by changes to the ligand. (lu.se)

Surface-coupled ligands offer a greater degree of freedom to move on the liposome membrane for optimal interactions. (wikipedia.org)
Combinations of covalent binding through disulfide linkages, heating, and hydrophobic interactions can be used depending on the properties of the liposome and ligand. (wikipedia.org)
In drug discovery, efficient screening of protein-drug interactions (PDIs) is hampered by the limitations of current biophysical approaches. (nature.com)
Using this YaxAB nanopore, we demonstrate label-free, single-molecule detection of interactions between the anticancer Bcl-xL protein and small-molecule drugs as well as the Bak-BH3 peptide. (nature.com)
Although protein-protein interactions (PPIs) are promising targets, drugging them is one of the key challenges in drug discovery 19 . (nature.com)
Ligand binding to proteins are mediated through numerous interactions. (cea.fr)
Combining the unique information from neutron crystallography with high resolution X-ray crystallography, it is then possible to obtain a complete and accurate view of the interactions that drive ligand binding. (cea.fr)
A SensíQ® Pioneer SPR system is available for characterizing protein-ligand interactions. (cedars-sinai.edu)
In addition to the equipment mentioned above, the molecular therapeutics core facility includes GE MicroCal calorimeters for thermodynamic analysis of protein-ligand interactions through ITC. (cedars-sinai.edu)
BMPR family of proteins is a valuable tool for studying ligand-receptor interactions, downstream signaling events, and determining therapeutic targets. (news-medical.net)
We use molecular biology and biochemistry to discover and validate RNA targets, biophysical methods to study their structure and discover interactions with ligands, as well as synthetic organic chemistry to prepare and optimize RNA-binding molecules. (ucsd.edu)
We mostly used molecular mechanics (MM) in order to model the protein-ligand interactions, which is more approximate than quantum-mechanical (QM) methods, but necessary to reduce the computational cost when doing calculations on protein-ligand systems, which often contain tens of thousand of atoms. (lu.se)

Ligands are molecules responsible for binding to receptors in the cellular targeting process. (wikipedia.org)
FEP calculations are based on molecular dynamics (MD) simulations and therefore explicitly consider both enthalpy and entropy effects of the conformational flexibility of the ligand, as well as desolvation effects within the ligand binding domain (LBD) of certain receptors. (nature.com)
The "death receptors", which typically cause cell death by apoptosis, can be activated by ligands, such as TNF. (news-medical.net)
These class A G-protein coupled receptors (GPCRs) are involved in mammalian signaling pathways and control cell migration toward endogenous CC chemokine ligands, named for the adjacent cysteine motif on their N terminus. (iasp-pain.org)
Chemokine receptors and their associated ligands are involved in a wide range of diseases and thus have become important drug targets. (iasp-pain.org)
The Bone Morphogenetic Protein Receptor ( BMPR ) family includes transmembrane receptors that play vital roles in tissue development and cellular signaling. (news-medical.net)
Such receptors exhibit unique ligand-binding specificities and mediate distinct signaling cascades, even though they could cross-interact with other TGF-β family ligands. (news-medical.net)
analyzed the impact of RN1 (a natural product extracted from Panax notoginseng ) on bone morphogenetic protein receptors (BMPR1A and BMPR2). (news-medical.net)
In drug discovery, it is of utmost importance to accurately calculate the free energies of binding ligands to various protein targets, such as enzymes and receptors. (lu.se)
Ligands and receptors fit together like keys into locks. (medlineplus.gov)

These programs are utilized to screen entire libraries of molecules for a possible ligand of a binding site and to furthermore estimate in which conformation the ligand will most likely bind. (uni-marburg.de)
The ability to rapidly identify small molecules that non-covalently bind to a specific target is a critical tool that will benefit many promising therapeutic targets. (ddw-online.com)
Molecules are identified by sequencing the unique DNA tags that bind the target. (ddw-online.com)
Stablix's RESTORED platform generates heterobifunctional small molecules (RESTORACS) that recruit deubiquitinase enzymes to remove ubiquitin from targeted proteins and consequently stabilize or increase target protein levels and activity. (businesswire.com)
These recruiting moieties are conjugated with linkers to targeting ligands to create bispecific molecules that co-localize a DUB and a target. (businesswire.com)
Cell death by necroptosis involves membrane breakage, which leaks intracellular molecules such as heat shock proteins. (news-medical.net)
This can inform the researcher on the charged state of a ligand, the involvement of water molecules, and the charged state of amino acid side chains involved in binding. (cea.fr)
The database contains 190k small molecules divided into 23 sub libraries each focused at a specific target. (chemdiv.com)
According to the recent studies, molecules acting on a particular target or class of targets usually have characteristic moieties (PF) containing key binding points responsible for activity, e.g. hinge-binding fragments. (chemdiv.com)
We used this principle for the statistical analysis of the reported active molecules and corresponding targets for the annotation of pre-filtered ChemDiv in house collection. (chemdiv.com)
Selection of target classes with a statistically significant number of active molecules. (chemdiv.com)
Bifunctional molecules that are designed to recruit E3 UBIQUITIN LIGASE to a specific target protein. (bvsalud.org)
Among these proteins, annexin is known to inhibit phospholipase A2 and thus block the production of mediators and arachidonic acid metabolites such as the COX-2 enzyme, leukotrienes and prostaglandins, cytokines, interleukins, adhesion molecules and enzymes such as collagenase 24,25 . (bvsalud.org)

It binds to E3 ligase ligands with weak binding affinities to VHL protein in the synthesis of PR. (targetmol.com)
Dasatinib carbaldehyde is based on Dasatinib which is an ABL inhibitor, binds to the IAP ligand via a linker, and forms SNIPER [1]. (targetmol.com)
We showed earlier that the mutation of Leu99 to alanine in bacteriophage T4 lysozyme creates an internal cavity of volume approximately 150 A(3) that binds benzene and a variety of other ligands. (nih.gov)
the target protein binds to the column, and unwanted proteins are eluted. (the-scientist.com)
in biochemistry, a molecule that binds to a target biomolecule, usually a protein. (wordsmyth.net)
When a message molecule binds to the extracellular side of the receptor, it triggers a shape change activating G proteins and the ß-arrestin protein attached to the intracellular side of the receptor. (sciencedaily.com)
The team synthesized a non-peptide message molecule called PCO371 which binds to the intracellular region of the receptor and interacts directly with G protein subunits. (sciencedaily.com)
Epidermal growth factor receptor binds to at least seven different ligands. (medlineplus.gov)
We combine NMR relaxation experiments with molecular dynamics (MD) simulations to derive a highly detailed picture of how the conformational entropy changes when the protein binds different ligands. (lu.se)

Additionally, for complex biological matrices, antibody selection can be challenging since protein targets secreted from cells into cell culture media or serum may be cleaved or modified, altering epitope recognition-hence the benefit of using protease cocktail inhibitors. (genengnews.com)
utilized a cell-free immunoprecipitation assay to analyze the neutralizing potential of the mouse monoclonal antibody 3F6 to hinder the BMPR2-ECD ligand-binding activity. (news-medical.net)
Antibody 3F6 reduces BMPR2-ECD ligand-binding activity in a modified immunoprecipitation assay. (news-medical.net)
Therefore, we aimed to identify cell surface proteins specifically expressed on NPM1)-mutated AML cells, allowing for potential targeting with antibody-based therapies. (lu.se)
By flow cytometry and single cell RNA-sequencing, we further show that normal hematopoietic stem and progenitor cells lack detectable C3AR gene and protein expression, making it particularly suitable as a target for antibody therapy. (lu.se)

Broadly used in modern drug design, molecular docking methods explore the ligand conformations adopted within the binding sites of macromolecular targets. (mdpi.com)
Free energy perturbation (FEP) calculations are attractive for predicting ligand-protein binding affinities via molecular simulations as well as for reducing the duration of the lead optimization phase of pharmaceutical development, which is as an individual stage the most expensive part of drug discovery 1 , 2 . (nature.com)
We first identified 51 active compounds from SZT and their 81 potential molecular targets by high-throughput computational analysis, from which we identified 4 major pathways including Th17 cell differentiation, metabolic pathways, pathways in cancer, and the PI3K-Akt signaling pathway. (hindawi.com)
Through network analysis of the compound-target pathway, we identified hub molecular targets within these pathways including carbonic anhydrase II (CA2), peroxisome proliferator activated receptor γ (PPAR γ ), retinoid X receptor α (RXRA), and vitamin D receptor (VDR). (hindawi.com)
We further identified top 5 compounds including cynarine, stigmasterin, kushenol, β -sitosterol, and (24S)-24-propylcholesta-5-ene-3 β -ol as putative key active compounds on the basis of their molecular docking scores with identified hub target proteins. (hindawi.com)
Network pharmacology analysis and molecular docking analysis jointly revealed that umbelliferone and scopoletin act on multiple targets, mostly tyrosine kinases, in combating RA. (frontiersin.org)
One such receptor involved in relaying molecular signals is a G protein-coupled receptor (GPCR). (sciencedaily.com)

Liposomes have a lipid outer layer that can be used to bind ligands. (wikipedia.org)
These targeted drugs bind to markers or proteins over-expressed by certain tumors, or tumor-associated tissue, such as stroma. (novartis.com)
All of the ligands bind in essentially the same plane but the center of the phenyl ring can translate by up to 1.2 A. In no case does the ligand rotate freely within the cavity. (nih.gov)
This positioning allows the receptor to attach (bind) to other proteins, called ligands, outside the cell and to receive signals that help the cell respond to its environment. (medlineplus.gov)

Accurate in silico predictions of ligand-protein binding affinities continues to be a primary objective of structure-based pharmaceutical design because of its putative value for drug discovery. (nature.com)
Two scFv antibodies were selected for each target according to their binding affinities. (news-medical.net)

CPI-0610 carboxylic acid is an effective and selective small molecule inhibitor of bromine domain and outer end (BET) protein as a ligand of PROTAC target protei. (targetmol.com)
Here, we develop a biological nanopore sensor for single-molecule detection of proteins and PDIs using the pore-forming toxin YaxAB. (nature.com)
Taken together, our results present the YaxAB nanopore as a robust platform for label-free, ultrasensitive, single-molecule detection of PDIs, opening up a possibility for low-cost, highly efficient drug discovery against diverse drug targets. (nature.com)
Recently, highly targeted small-molecule agents, such as tyrosine kinase inhibitors (TKI), open a new avenue for RA therapy with improved clinical responses ( Koenders and Van DenBerg, 2015 ). (frontiersin.org)
Keeping the general workflow in mind, here are three popular and emerging approaches that offer key solutions for identifying small molecule binding compounds to diverse targets. (ddw-online.com)
The first column isolates the small molecule-target complex. (ddw-online.com)
Extensive experimental results show that MolCode outperforms previous methods on a series of challenging tasks including de novo molecule design, targeted molecule discovery, and structure-based drug design. (biorxiv.org)
If a drug molecule or a ligand is a message, an inbox is typically a receptor in the cell membrane. (sciencedaily.com)
To understand function through structure, they used cryo-electron microscopy and revealed the 3D structure of the PTH1R and G protein bound to a message molecule. (sciencedaily.com)
This specificity of its binding and receptor activation mode makes it a suitable candidate for potential small-molecule-based drugs for class B1 GPCRs, like PTH1R, which currently lack oral administrative drug ligands. (sciencedaily.com)
A Waters Breeze 2 HPLC equipped with a number of columns for small molecule and protein chromatography is also available for use. (cedars-sinai.edu)
In this project, our aim is to identify the molecule responsible for the interaction between NTHi and CRL, with the goal of finding a promising target for vaccine development to treat NTHi infections. (lu.se)

Scientists working with recombinant proteins expressed in Escherichia coli probably use at least one liquid chromatography technique to purify their protein of interest. (the-scientist.com)

Together, our approaches identified 40 new SBP ligands, generated experiment-based annotations for 2084 SBPs in 71 isofunctional clusters, and defined numerous metabolic pathways, including novel catabolic pathways for the utilization of ethanolamine as sole nitrogen source and the use of d-Ala-d-Ala as sole carbon source. (rcsb.org)
Several examples of the role of viral glycoproteins, their ligands, and cellular proteins of the signaling pathways have been described. (cdc.gov)
Binding of viral proteins to their ligands activates signaling pathways-focal adhesion kinase for human herpesvirus 8, JAK1, tyk2 and STAT1/2 for West Nile virus (WNV), I κ B-kinase, and nuclear transcription factor κ B (NF-κB) for influenza virus-resulting in virus entry, DNA delivery to nucleus, and modulation of protein expression that stimulate or inhibit virus replication. (cdc.gov)
Bio-Techne scientist, Anthony Person, Ph.D., discussed novel immunoregulatory pathways that the R&D Systems protein group has uncovered as potential targets for cancer immunotherapy. (rndsystems.com)
Adverse side effects ensue if drugs acting on GPCRs activate multiple signaling pathways rather than a specific target pathway. (sciencedaily.com)

However, to date FEP has typically been helpful mainly when (1) high-quality X-ray data is available and (2) the target protein does not undergo significant conformational changes. (nature.com)
However, these nanopore sensors are mainly based on specific ligand-induced large conformational changes. (nature.com)

It is associated with a complex of invariant transmembrane proteins called CD3 , which transduces the binding of the peptide- MHC complex into intracellular signals ( Figure 24-63 ). (nih.gov)

Therefore, novel scaffolds with safe, effective, targeted biomarker inhibition are desired for precision medicine in RA. (frontiersin.org)
Current targeted therapies can slow tumor growth (eg, BRAF inhibition) or release the brakes on the immune response, resulting in tumor lysis (eg, PD-1 inhibition). (medscape.com)

This includes gene, protein and metabolic networks, cellular architecture and intracellular dynamics, cell communication and motility, cell division and differentiation, tissue formation and organogenesis, tissue and organ functions, changes in population characteristics as a consequence of interaction of organisms with their physical environment, with individuals of their own species, and with organisms of other species. (nih.gov)
The protein encoded by this gene is an orphan G protein-coupled receptor whose ligand is unknown. (nih.gov)
Therefore, this gene is a potential drug target for triple-negative breast cancer. (nih.gov)
MitoNEET belongs to the CDGSH Iron-Sulfur Domain (cisd)-gene family of proteins and is a [2Fe-2S] cluster-containing protein found on the outer membrane of mitochondria. (researchgate.net)
With inherited diseases such as cystic fibrosis, mutations in the CFTR gene produce a protein that remains functional but is subject to excessive ubiquitination, leading to its rapid degradation via the proteasome. (businesswire.com)
Their pioneering work demonstrated the functional rescue of CFTR and of a second target, KCNQ1, a gene that when mutated causes Long QT syndrome. (businesswire.com)
Besides, gene therapies targeted at restoring BMPR2 function have been examined as a possible treatment for Pulmonary Arterial Hypertension. (news-medical.net)
The EGFR gene provides instructions for making a receptor protein called the epidermal growth factor receptor, which spans the cell membrane so that one end of the protein remains inside the cell and the other end projects from the outer surface of the cell. (medlineplus.gov)
These gene changes result in a receptor protein that is constantly turned on (constitutively activated), even when it is not bound to a ligand. (medlineplus.gov)
Lung cancers with EGFR gene mutations tend to respond to treatments that specifically target the overactive epidermal growth factor receptor protein that allows cancer cells to constantly grow and divide. (medlineplus.gov)

If ligands, such as antibodies, do not maintain binding specificity, proper orientation, and coupling efficiency the liposome will not be effective. (wikipedia.org)
They not only help activate B cells to secrete antibodies and macrophages to destroy ingested microbes, but they also help activate cytotoxic T cells to kill infected target cells. (nih.gov)
EF-Tu From Non-typeable Haemophilus influenzae Is an Immunogenic Surface-Exposed Protein Targeted by Bactericidal Antibodies. (lu.se)
Finally, we show that antibodies directed against C3AR efficiently elicit NK cell-mediated killing of primary AML cells ex vivo, highlighting C3AR as a candidate therapeutic target in NPM1-mutated AML. (lu.se)

They interact with specific intracellular receptor proteins in the target tissues and alter the expression of genes to corticosteroids. (bvsalud.org)

Our integrated drug discovery strategy could be valuable in finding other multi-target bioactive compounds from complex matrices for treating multifactorial diseases. (frontiersin.org)
How much to compress a library can be influenced by the quality of the library, purity, devoid of bad actors and PAINS compounds, the throughput of the ASMS approach and the target of interest. (ddw-online.com)

Pocketome via Comprehensive Identification and Classification of Ligand Binding Envelopes. (uni-marburg.de)
To accelerate research in this field, new protein capture tools for the detection and identification of specific proteins are needed. (nih.gov)
Alignment of the amino acid sequence of aprotinin with the Kunitz domains of human proteins allowed the identification and design of a family of peptides, named Angiopeps. (aspetjournals.org)

Pathological lesions caused by two proteins are believed to be the cause of Alzheimer's disease, namely β-amyloid and phosphorylated tau protein tangles. (researchsquare.com)

This entropy largely stems from the fluctuation of the protein and ligand. (lu.se)
Arguably, one of the greatest challenges lies in evaluating the conformational entropy of the target protein, which involves a very large number of degrees of freedom. (lu.se)
This is perhaps one reason why protein conformational entropy has not received widespread attention in the field of ligand/drug design, while the often dominant role of solvent entropy is generally taken into account, together with the change in ligand entropy. (lu.se)
For these reasons, we are interested in the role of the conformational entropy of the target protein in ligand-binding processes. (lu.se)
By comparing NMR-derived order parameters between the free and ligand-bound protein, we estimate the contributions from conformational entropy to the free energy of ligand binding. (lu.se)
In addition to NMR relaxation methods, we use isothermal titration calorimetry to obtain the thermodynamic fingerprint of ligand binding, including the total (standard) free energy, enthalpy, and entropy of the process. (lu.se)

Excess ubiquitination is also a feature of cancer, where E3 ubiquitin ligases - enzymes that add ubiquitin to proteins - are frequently upregulated or amplified, driving the degradation of tumor suppressor proteins. (businesswire.com)
Protein stabilization can be thought of as the inverse of protein degradation. (businesswire.com)
However, because proteasome inhibitors globally inhibit protein degradation in a non-specific manner, their use outside of oncology is limited by poor tolerability, highlighting the need for targeted approaches. (businesswire.com)
They promote association of E3 with specific target proteins tagged for degradation via the PROTEASOME. (bvsalud.org)

Viral proteases (HCV and SARS-CoV) and viral RNA-dependent RNA polymerases (Lassa virus, HCV, WNV) are major targets, but treatments targeting viral enzymes often induce the rapid emergence of drug-resistant viruses. (cdc.gov)
The APP is cleaved by enzymes and convert APP into soluble protein fibers it will be broken and recycled. (researchsquare.com)

CC chemokine receptor 2 (CCR2) is a part of the chemokine receptor family, an important class of therapeutic targets. (iasp-pain.org)

A ligand-targeted liposome (LTL) is a nanocarrier with specific ligands attached to its surface to enhance localization for targeted drug delivery. (wikipedia.org)
The specific functions of mitoNEET/CISD1 remain to be fully elucidated, but the protein is involved in regulating mitochondrial bioenergetics in several metabolic diseases. (researchgate.net)
But liquid chromatography frequently requires a considerable amount of optimization, and usually involves several different chromatographic steps to rid the sample of contaminants.1 The ideal solution would be to create a resin that is completely specific to the target protein, enabling one-step purification. (the-scientist.com)
1 The ideal solution would be to create a resin that is completely specific to the target protein, enabling one-step purification. (the-scientist.com)
Many inherited and acquired diseases are caused by insufficient levels of specific proteins. (businesswire.com)
However, the specific ligand of NTHi responsible for this interaction remains unknown. (lu.se)

The structural comparison of binding sites is especially useful when applied on distantly related proteins as a comparison solely based on the amino acid sequence is not sufficient in such cases. (uni-marburg.de)
Matching of structural motifs using hashing on residue labels and geometric filtering for protein function prediction. (uni-marburg.de)
The structural basis of G-protein-coupled receptor function and dysfunction in human diseases. (nih.gov)
Structural basis for ligand modulation of the CCR2 conformational landscape. (iasp-pain.org)
RNA viruses may escape acquired humoral and cellular immune responses by mutations in protective antigenic epitopes (e.g., avian influenza viruses), while accessory nonstructural proteins or multifunctional structural proteins interfere with the interferon system (e.g. (imperial.ac.uk)

Detection of the most likely ligand binding mode, the presence of multiple stable binding conformations, insufficient equilibration, and determining an adequate sampling time (especially when significant protein side chain and backbone residue flexibility is possible) are the most critical aspects of FEP, and have been recently reviewed in detail 8 . (nature.com)

Virus entry and replication strategies are potential targets for antiviral drug treatments. (cdc.gov)

Implementing REST to the entire ligand as opposed to solely the perturbed region, and also some important flexible protein residues (pREST region) in the ligand binding domain (LBD) has considerably improved the FEP+ results in most of the studied cases. (nature.com)
We also ran QM/MM simulations on casein-kinase 2 (CK2), where the ligand and a few surrounding residues were treated at the QM level, and the rest of the system at the MM level. (lu.se)

And because PCO371 activates only G protein and not ß-arrestin it does not cause side effects. (sciencedaily.com)

Group 1 (Dur-19, PF00477, LEA_5) Late Embryogenesis Abundant (LEA) proteins are present in organisms from all three domains of life, Archaea, Bacteria, and Eukarya. (researchgate.net)

The formation of necrosome, a multiprotein complex that stimulates necroptosis, is tightly regulated by proteins downstream of the receptor and can be the deciding factor in inducing necroptosis. (news-medical.net)

UNC6852 contains an EED ligand (IC50 = 247 nM) and a von Hippel-Lindau ligand and is a selective polycomb repressive complex 2 (PRC2) degrader based on PROTAC. (targetmol.com)
Until now, it has not been possible to inhibit the ubiquitin-proteasome system in a target-selective manner. (businesswire.com)
Stablix possesses a first-in-category platform that can restore protein stability and function in a target-selective manner," said Carlo Rizzuto, Ph.D., partner at Versant and acting CEO of Stablix. (businesswire.com)
Selective ligands of RNA targets have a potential to expand the existing repertoire of protein-directed therapeutics. (ucsd.edu)

Signal 1 is provided by a foreign peptide bound to an MHC protein on the surface of the presenting cell. (nih.gov)

Phenotypic cellular assay models more accurately reflect the complex biology of disease, allows for multiparametric measurement of ex vivo or in vivo events, and enables the characterization of intractable target(s). (genengnews.com)
Sensitivity of an assay dictates the detection of the target within the dynamic range of the assay with the caveat that the lower limit of detection could vary marginally from batch to batch. (genengnews.com)

Alanine racemase (Alr) was proposed as H. pylori drug target, inhibited by propanoic acid (PA), in a previous in silico study. (bvsalud.org)
Aspartate α-decarboxylase (ADC) was reported as a drug target in H. pylori, in an in silico study, with malonic acid (MA) as its inhibitor. (bvsalud.org)

The ligand chosen for the application depends on the target site selected and it is responsible for cellular interaction. (wikipedia.org)
The therapeutic efficacy of drugs is mediated by physical interaction with their cognate targets (mainly proteins). (nature.com)
As such, this cavity provides an excellent target to study protein-ligand interaction. (nih.gov)
Currently, our focus is to determine whether the interaction between NTHi surface proteins and CRL can trigger an immune response, as this information will be valuable in identifying potential vaccine candidates. (lu.se)

It is gratifying to see the work on precise stabilization of proteins now being translated into new therapies," said Dr. Colecraft. (businesswire.com)

Tumor endothelial cells are important for angiogenesis which is key to tumor growth, therefore using LTLs to target these cells can limit growth and vascularization of a tumor. (wikipedia.org)
Targeted radioligand therapy is a type of precision medicine combining two key elements: a targeting compound, or ligand, and a radioactive isotope, causing DNA damage that inhibits tumor growth and replication. (novartis.com)

Saussurea laniceps , a reputed anti-rheumatic medicinal herb, is an excellent place to start looking for natural products as safe, effective, targeted therapeutics for RA. (frontiersin.org)
NEW YORK--( BUSINESS WIRE )--Stablix Therapeutics, a biotechnology company pioneering the field of Targeted Protein Stabilization (TPS), today announced a $63 million Series A financing led by founding investor Versant Ventures together with NEA, Cormorant, Euclidean Capital and Alexandria Real Estate Equities. (businesswire.com)

Proteins can target the transferrin receptor membrane glycoprotein. (wikipedia.org)

Recently, we proposed a common computational workflow which can retrieve accurate information about the ligand binding modes and the starting pose for FEP+ simulations 11 . (nature.com)

Rheumatoid arthritis (RA) is a complex autoimmune condition primarily affecting synovial joints, which targeted synthetic drugs have damaging safety issues. (frontiersin.org)

The target site contains the binding sites that the ligands target to deliver the LTL to the desired area. (wikipedia.org)
In the present work, accelerated methods for the comparison of protein binding sites as well as an extended procedure for the assessment of ligand poses in protein binding sites are presented. (uni-marburg.de)
Binding sites of other proteins which are similar to the binding site of the target protein can offer hints for possible side effects of a new drug prior to clinical studies. (uni-marburg.de)
Methods for the assessment of ligand poses in protein binding sites are also used in the early phase of drug development within docking programs. (uni-marburg.de)
How to Measure the Similarity Between Protein Ligand-binding Sites. (uni-marburg.de)
Efficient Similarity Retrieval for Protein Binding Sites based on Histogram Comparison. (uni-marburg.de)
The Automatic Search for Ligand Binding Sites in Proteins of Known Three-dimensional Structure Using only Geometric Criteria. (uni-marburg.de)
A simple and fuzzy method to align and compare druggable ligand-binding sites. (uni-marburg.de)
Additionally, we compared how MD and grand-canonical Monte Carlo (GCMC) can be used to assess dynamics and thermodynamics of protein-ligand binding for both buried and solvent-exposed binding sites. (lu.se)

DUPA selectively delivers cytotoxic drugs to prostate cancer cells [1][2], belonging to the glutamate class, as a targeted part of drug coupling. (targetmol.com)
Ligand-targeting technology enhances liposomes by adding targeting properties for directed drug delivery. (wikipedia.org)
Ligand-targeted liposomes for targeting cancer often use this over-expression of folate and a ligand that targets this vitamin to localize drug delivery to the desired area. (wikipedia.org)
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. (rcsb.org)
While more than 645,000 disease-relevant PPIs have been reported in the human interactome, only approximately 2 % of them have been targeted for drug development 20 . (nature.com)
Protein binding site comparisons are frequently used receptor-based techniques in early stages of the drug development process. (uni-marburg.de)
Moreover, binding site comparisons are used as an idea generator for bioisosteric replacements of individual functional groups of the newly developed drug and to unravel the function of hitherto orphan proteins. (uni-marburg.de)
The therapeutic rationale of herbal medicines is a paradigm of the emerging drug discovery concept of "polypharmacology", i.e., multiple components hitting multiple targets ( Shen, 2015 ). (frontiersin.org)
Understanding the advantages and limitations of these different approaches is critical for selecting the technique suitable for a given target and increases the likelihood of meeting drug discovery goals. (ddw-online.com)
Microscale Thermophoresis (MST) is the next generation of technology to screen drug against protein target. (cedars-sinai.edu)
In particular, MST has capabilities to measure ligands/drugs for difficult drug targets such as transcription factors and membrane proteins. (cedars-sinai.edu)
We are exploring structured RNA as (1) a drug target and a material for (2) self-assembling nano-architectures. (ucsd.edu)
In conclusion, Alr is a promising broad-spectrum drug target, inhibited by PA without resistance development by repeated exposure for 14 serial passages. (bvsalud.org)
The ideal drug would target only cancer cells and have no adverse effects on normal cells. (msdmanuals.com)

Proteolysis targeting chimera consist of a target protein ligand connected via a linker to an E3 ligand. (bvsalud.org)

Studies show that necrotic death is induced by a ligand binding to a receptor, such as when apoptosis is initiated. (news-medical.net)
Carbon nanotube s induce apoptosis resistance through FLICE-inhibitory protein. (cdc.gov)
As compared to passage-matched control cells, SWCNT-transformed BEAS-2B cells exhibited resistance to apoptosis induced by death ligands, e.g., tumor necrosis factor-a and Fas ligand, but not by inducers of mitochondria-mediated apoptosis, e.g., antimycin A and cisplatin, suggesting death receptor pathway as the primary pathway of defective apoptosis in SWCNT-transformed cells. (cdc.gov)
DNA microarray and Western blot analyses of key apoptosis-regulatory proteins in the transformed cells revealed FLICE-inhibitory protein (FLIP) as an important target of regulation by SWCNT. (cdc.gov)
Overexpression of FLIP increased apoptosis resistance of the cells, whereas RNAi knockdown of FLIP reversed the apoptosis resistance of cells in response to death ligands. (cdc.gov)

Our exclusive selection of bioactive CTRP proteins provide the tools to expand on this intriguing research. (rndsystems.com)
R&D Systems has the widest selection of bioactive proteins, including exclusive heterodimers. (rndsystems.com)

To obtain complex composite materials, we devise additive and subtractive manufacturing techniques for self-assembling nucleic acid and protein components. (ucsd.edu)
Chen S,Xing L,Zhang D,Monferrer A,Hermann T "Nano-sandwich composite by kinetic trapping assembly from protein and nucleic acid. (ucsd.edu)

Favorable target site characteristics are determined by what is commonly expressed by tissues of the pathology of interest. (wikipedia.org)
Fibroblast activation protein (FAP) is a cell-surface protein expressed at low levels in most normal adult tissues, but over-expressed in common cancers, particularly on cancer-associated fibroblasts that form the tumor stroma, which is essential for growth 1 ,2 ,3 ,4 . (novartis.com)
By controlling access to the brain, the blood-brain barrier (BBB) restricts the entry of proteins and potential drugs to cerebral tissues. (aspetjournals.org)

This proposal tests the paradigm-shifting hypothesis that mitochondrial-derived proteins (MPDs) play a previously unappreciated role in the regulation of cellular and organismal function, and that disregulation of MDPs is important in disease development. (nih.gov)

We recommend using this workflow before setting up and executing FEP+ calculations, especially for flexible protein structures. (nature.com)

Anatomy17

Organisms11

Chemicals and Drugs110

Analytical, Diagnostic and Therapeutic Techniques and Equipment48

Phenomena and Processes64

Disciplines and Occupations6

Technology, Industry, Agriculture2

Information Science13

Affinity7

Complexes6

Interactions12

Receptors10

Molecules13

Binds9

Antibody5

Molecular7

Bind4

Affinities2

Molecule12

Recombinant proteins1

Pathways5

Conformational changes2

Transmembrane1

Inhibition2

Gene10

Antibodies4

Intracellular1

Compounds2

Identification3

Pathological1

Entropy6

Degradation4

Enzymes2

Therapeutic targets1

Specific6

Structural5

Conformations1

Antiviral1

Residues2

Activates1

Domains1

Downstream1

Selective4

Bound1

Assay2

Silico2

Interaction4

Therapies1

Tumor growth2

Therapeutics2

Transferrin1

Computational1

Synthetic1

Binding Sites9

Drug14

Linker1

Apoptosis5

Bioactive2

Nucleic2

Tissues3

Cellular1

Calculations1