N Mehyar, A Mashhour, I Islam… - SAR and QSAR in …, 2021 - Taylor & Francis
… zafirlukast alleviates SARS-CoV-2 pathogenicity by inhibiting the viral helicase and impairing … SARS-CoV-2helicase is also identified as a possible binding site for inhibitors [Citation49]. …
… SARS-CoV-2 … SARS-CoV-2helicase to investigate whether the ligands would preferentially bind to the NTPase region or another site in the protein, which may be a potentialallosteric …
… inhibition via disruption of ATP binding by small molecules could be a promising strategy for novel helicaseinhibitors … and shortlist pocket 26 on the allosteric site, a potent inhibitory …
L Lu, Y Peng, H Yao, Y Wang, J Li, Y Yang, Z Lin - Antiviral Research, 2022 - Elsevier
… and has been identified as an ideal target for the development of antiviral drugs against SARS-CoV-2. Here, we identify a novel NSP13 helicaseinhibitor punicalagin (PUG) through …
… based identification of their specific inhibitors. In the present study, the in silico models of SARS-CoV-2 nsp13 helicase and … These in silico model structures were validated using various …
… activity have been reported that will help refine future in silico drug screening efforts. … SARS-CoV-2helicase complex to characterize the enzyme motions and identifypotentialallosteric …
… In conclusion, there are number of experimental and in silico studies which propose the potentialallosteric sites of MPro in the literature. Locations of the proposed sites mainly are …
Y Otsuka, E Kim, A Krueger, J Shumate, C Wang… - SLAS Discovery, 2024 - Elsevier
… SARSCoV-2 nsP13 helicase assay in 1536 wpf for HTS to identifypotentialhelicaseinhibitors. … To increase the chance to find selective nsP13 inhibitors we also included other libraries. …
R Satpathy - Biomedical and Biotechnology Research Journal …, 2020 - journals.lww.com
… No low resolution (<2 angstrom level) crystallographic structure structural data are currently available for SARS-CoV-2helicase (Nsp 13) proteins in the Protein Databank (PDB) at the …