In-Silico Drug Repurposing for Targeting SARS-CoV-2 Mpro

COVID-19, caused by novel coronavirus or

SARS-CoV-2, is a viral disease which has infected millions worldwide.

Considering the urgent need of the drug for fighting against this infectious

disease, we performed in-silico drug repurposing. The main protease (Mpro)

is one of the best characterized drug targets among coronaviruses, therefore,

this was screened for already known drugs, including chemical constituents of

Ayurvedic drugs, using docking and MD simulation. The results suggest EGCG,

withaferin A and artesunate may act as potential inhibitors of the main protease

(Mpro).