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

preprint
submitted on 29.04.2020 and posted on 29.04.2020 by Shilpa Sharma, Shashank Deep

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).

History

Email Address of Submitting Author

sdeep@chemistry.iitd.ac.in

Institution

Indian Institute of Technology Delhi

Country

India

ORCID For Submitting Author

0000-0002-4908-8205

Declaration of Conflict of Interest

None

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