… The aim of this study is to identify small molecules from … allosteric site (Pocket 26) of
SARS-CoV-2 Helicase. Pyrx was used for the in silico molecular docking simulations of SARS-CoV-2 …

… zafirlukast alleviates SARS-CoV-2 pathogenicity by inhibiting the viral helicase and
impairing … SARS-CoV-2 helicase is also identified as a possible binding site for inhibitors [Citation49]. …

… SARS-CoV-2 … SARS-CoV-2 helicase to investigate whether the ligands would preferentially
bind to the NTPase region or another site in the protein, which may be a potential allosteric …

… inhibition via disruption of ATP binding by small molecules could be a promising strategy
for novel helicase inhibitors … and shortlist pocket 26 on the allosteric site, a potent inhibitory …

… and has been identified as an ideal target for the development of antiviral drugs against
SARS-CoV-2. Here, we identify a novel NSP13 helicase inhibitor 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-2 helicase complex to characterize the enzyme motions and identify potential allosteric …

… In conclusion, there are number of experimental and in silico studies which propose the
potential allosteric sites of MPro in the literature. Locations of the proposed sites mainly are …

… SARS CoV-2 nsP13 helicase assay in 1536 wpf for HTS to identify potential helicase inhibitors.
… To increase the chance to find selective nsP13 inhibitors we also included other libraries. …

… No low resolution (<2 angstrom level) crystallographic structure structural data are currently
available for SARS-CoV-2 helicase (Nsp 13) proteins in the Protein Databank (PDB) at the …