Ongoing Research Calls
The present study prioritizes withanolide F as a prospective COVID-19 (Coronavirus disease) therapeutic agent based on the observations. 1578 compounds fltered from 9596 phytochemicals were chosen for screening against the RBD of the native SARS-CoV-2 S protein. Based on the binding energy, Four phytochemicals, namely withanolide F, serotobenine, orobanchol, and gibberellin A51, were found to be potential RBD binders in native and all SARS-CoV-2 VOCs. Interestingly withanolide F exhibited lower binding energy (-10.84 to -8.56 kcal/mol) and better ligand efciency (-0.3 to -0.25) against all forms of RBD in native and VOCs.