Results 41 to 50 of about 4,452,404 (339)

Allosteric Modulation of the CB1 Cannabinoid Receptor by Cannabidiol—A Molecular Modeling Study of the N-Terminal Domain and the Allosteric-Orthosteric Coupling

open access: yesMolecules, 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]

open access: yesBioinformatics, 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
openaire   +2 more sources

Molecular Dynamics Simulations of Antibiotic Ceftaroline at the Allosteric Site of Penicillin‐Binding Protein 2a (PBP2a)

open access: yesIsrael Journal of Chemistry, 2020
Methicillin-resistant Staphylococcus aureus (MRSA) tolerates β-lactam antibiotics by carrying out cell wall synthesis with the transpeptidase Penicillin-binding protein 2a (PBP2a), which cannot be inhibited by β-lactams. It has been proposed that PBP2a’s
Y. Chiang, M. Wong, J. Essex
semanticscholar   +1 more source

A common allosteric site and mechanism in caspases [PDF]

open access: yesProceedings of the National Academy of Sciences, 2006
We present a common allosteric mechanism for control of inflammatory and apoptotic caspases. Highly specific thiol-containing inhibitors of the human inflammatory caspase-1 were identified by using disulfide trapping, a method for site-directed small-molecule discovery.
Justin M, Scheer   +2 more
openaire   +2 more sources

The Allosteric Activation of α7 nAChR by α-Conotoxin MrIC Is Modified by Mutations at the Vestibular Site

open access: yesToxins, 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

Development of allosteric modulators of GPCRs for treatment of CNS disorders

open access: yesNeurobiology 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
doaj   +1 more source

Functional Characterization of the Dopaminergic Psychostimulant Sydnocarb as an Allosteric Modulator of the Human Dopamine Transporter

open access: yesBiomedicines, 2021
The dopamine transporter (DAT) serves a critical role in controlling dopamine (DA)-mediated neurotransmission by regulating the clearance of DA from the synapse and extrasynaptic regions and thereby modulating DA action at postsynaptic DA receptors ...
Shaili Aggarwal   +4 more
doaj   +1 more source

Repurposing of FDA‐approved drugs against active site and potential allosteric drug‐binding sites of COVID‐19 main protease

open access: yesProteins: Structure, Function, and Bioinformatics, 2021
The novel coronavirus disease 2019 (COVID‐19) caused by severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) still has serious negative effects on health, social life, and economics.
Merve Yuce   +5 more
semanticscholar   +1 more source

Potentiation and allosteric agonist activation of α7 nicotinic acetylcholine receptors: binding sites and hypotheses

open access: yesPharmacological Research, 2023
Considerable progress has been made in recent years towards the identification and characterisation of novel subtype-selective modulators of nicotinic acetylcholine receptors (nAChRs).
Victoria R. Sanders, Neil S. Millar
doaj   +1 more source

Structure and allosteric regulation of human NAD-dependent isocitrate dehydrogenase

open access: yesCell Discovery, 2020
Human NAD-dependent isocitrate dehydrogenase or HsIDH3 catalyzes the decarboxylation of isocitrate into α-ketoglutarate in the TCA cycle. HsIDH3 exists and functions as a heterooctamer composed of the αβ and αγ heterodimers, and is regulated ...
Pengkai Sun   +3 more
doaj   +1 more source

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