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

29 April 2020, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

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).

Keywords

Ayurvedic medicine
MD simulation
SARS-COV-2 Mpro
Repurposed drug
Docking

Supplementary materials

Title
Description
Actions
Title
COVID 19 Supporting Information
Description
Actions

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Version History

Apr 29, 2020 Version 1

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The content is available under CC BY NC ND 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv.12210845.v1
D O I: 10.26434/chemrxiv.12210845.v1 [opens in a new tab]

Author’s competing interest statement

None

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