Results 31 to 40 of about 4,452,404 (339)
X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease
Science, 2021 A large-scale screen to target SARS-CoV-2 The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) genome is initially expressed as two large polyproteins.
S. Günther +101 more
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Advances in targeting EGFR allosteric site as anti-NSCLC therapy to overcome the drug resistance
Pharmacological Reports, 2020 The epidermal growth factor receptor (EGFR) inhibitors represent the first-line therapy regimen for non-small cell lung cancer (NSCLC). Most of these inhibitors target the ATP-site to stop the aggressive development of NSCLC.
S. Maity, K. Pai, Yogendra Nayak
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Scientific Reports, 2023 Cancer has been viewed as one of the deadliest diseases worldwide. Among various types of cancer, breast cancer is the most common type of cancer in women.
Nisarg Rana +5 more
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Cells, 2022 The pregnane X receptor (PXR, NR1I2) is a xenobiotic-activated transcription factor with high levels of expression in the liver. It not only plays a key role in drug metabolism and elimination, but also promotes tumor growth, drug resistance, and ...
Rajamanikkam Kamaraj +3 more
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Pharmaceutics, 2022 The acquisition of penicillin-binding protein (PBP) 2a in resistant strains of Staphylococcus aureus allows for the continuous production of cell walls even after the inactivation of intrinsic PBPs. Thus, the discovery of novel therapeutics with enhanced
Jamiu Olaseni Aribisala, Saheed Sabiu
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Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors
Nature Communications, 2022 Lung cancer is frequently caused by activating mutations in the epidermal growth factor receptor (EGFR). Allosteric EGFR inhibitors offer promise as the next generation of therapeutics, as they are unaffected by common ATP-site resistance mutations and ...
T. Beyett +11 more
semanticscholar +1 more source
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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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
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The Allosteric Binding Sites of Sulfotransferase 1A1 [PDF]
Drug Metabolism and Disposition, 2015 Human sulfotransferases (SULTs) comprise a small, 13-member enzyme family that regulates the activities of thousands of compounds-endogenous metabolites, drugs, and other xenobiotics. SULTs transfer the sulfuryl-moiety (-SO3) from a nucleotide donor, PAPS (3'-phosphoadenosine 5'-phosphosulfate), to the hydroxyls and primary amines of acceptors. SULT1A1,
Ian, Cook +3 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, Sian Xiao, Xi Jiang, Peng Tao
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