Evaluating therapeutic potential of AYUSH-64 constituents against omicron variant of SARS-CoV-2 using ensemble docking and simulations.

ABSTRACT: The COVID-19 pandemic in the later phase showed the presence of the B.1.1.529 variant of the SARS-CoV-2 designated as Omicron. AYUSH-64 a poly herbal drug developed by Central Council for Research in Ayurvedic Sciences (CCRAS) has been recommended by Ministry of Ayush in asymptomatic, mild to moderate COVID-19 patients. One of the earlier, in-silico study has shown the binding of the constituents of AYUSH-64 to the main protease (M^pro) of the SARS-CoV-2. This study enlisted four phytochemicals of AYUSH-64, which were found to have significant binding with the M^pro. In continuation to the same, the current study proposes to understand the binding of these four phytochemicals to main protease (M^pro) and receptor binding domain (RBD) of spike protein of

SUBMITTER: Jani V 

PROVIDER: S-EPMC11179622 | biostudies-literature | 2024

REPOSITORIES: biostudies-literature