Results 31 to 40 of about 2,925,762 (288)
Computational and Structural Biotechnology Journal, 2021 The rational search for allosteric modulators and the allosteric mechanisms of these modulators in the presence of mutations is a relatively unexplored field.
Olivier Sheik Amamuddy +4 more
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Biochemical pharmacology of the positive allosteric modulation of the GABAb receptor "in Vitro" and "in Vivo" [PDF]
, 2007 Allosteric modulators of G-protein coupled receptors (GPCRs) interact with binding sites on the receptor molecule that are topographically distinct from the classic orthosteric site.
Gjoni, Tina
core +1 more source
Computational Study of SARS-CoV-2 RNA Dependent RNA Polymerase Allosteric Site Inhibition
Molecules, 2021 The COVID-19 pandemic has caused millions of fatalities since 2019. Despite the availability of vaccines for this disease, new strains are causing rapid ailment and are a continuous threat to vaccine efficacy.
Shah Faisal +6 more
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PASSerRank: Prediction of allosteric sites with learning to rank
Journal of Computational Chemistry, 2023 AbstractAllostery plays a crucial role in regulating protein activity, making it a highly sought‐after target in drug development. One of the major challenges in allosteric drug research is the identification of allosteric sites. In recent years, many computational models have been developed for accurate allosteric site prediction. Most of these models
Hao Tian 0010 +3 more
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Molecules, 2021 The CB1 cannabinoid receptor (CB1R) contains one of the longest N termini among class A G protein-coupled receptors. Mutagenesis studies suggest that the allosteric binding site of cannabidiol (CBD) involves residues from the N terminal domain.
Jakub Jakowiecki +5 more
doaj +1 more source
Allosite: a method for predicting allosteric sites [PDF]
Bioinformatics, 2013 Abstract Motivation: The use of allosteric modulators as preferred therapeutic agents against classic orthosteric ligands has colossal advantages, including higher specificity, fewer side effects and lower toxicity. Therefore, the computational prediction of allosteric sites in proteins is receiving increased attention in the field of ...
Wenkang Huang +10 more
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eLife, 2020 Pentameric ligand-gated ion channels (pLGICs) or Cys-loop receptors are involved in fast synaptic signaling in the nervous system. Allosteric modulators bind to sites that are remote from the neurotransmitter binding site, but modify coupling of ligand ...
Marijke Brams +12 more
doaj +1 more source
Development of allosteric modulators of GPCRs for treatment of CNS disorders
Neurobiology of Disease, 2014 The discovery of allosteric modulators of G protein-coupled receptors (GPCRs) provides a promising new strategy with potential for developing novel treatments for a variety of central nervous system (CNS) disorders.
Hilary Highfield Nickols +1 more
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Toxins, 2021 α-conotoxins are 13–19 amino acid toxin peptides that bind various nicotinic acetylcholine receptor (nAChR) subtypes. α-conotoxin Mr1.7c (MrIC) is a 17 amino acid peptide that targets α7 nAChR.
Alican Gulsevin +6 more
doaj +1 more source
Omicron P132H of SARS-CoV-2 Mpro is an allosteric mutant involved in modulating the dynamics of catalytic site entry loop [PDF]
, 2023 Dynamic allostery without conformational changes is well established in CoV-2 main protease, Mpro, where distal sidechain dynamics and ligand binding have shown to affect the catalytic efficiency. Understanding this allosteric regulation of CoV-2 Mpro is
Zahoor Ahmad, Bhat +4 more
core +2 more sources