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Combinatorial Chemistry & High Throughput Screening

Editor-in-Chief

ISSN (Print): 1386-2073
ISSN (Online): 1875-5402

Research Article

Catechin Derivatives as Inhibitor of COVID-19 Main Protease (Mpro): Molecular Docking Studies Unveil an Opportunity Against CORONA

Author(s): Muhammad Nouman Arif*

Volume 25 , Issue 1 , 2022

Published on: 22 November, 2020

Page: [197 - 203] Pages: 7

DOI: 10.2174/1871520620666201123101002

Abstract

Background: A newly emergent strain of coronavirus (COVID-19) has affected almost the whole of the world’s population. Currently, there is no specific vaccine or drug against COVID-19. Xu et al. (2020) built a homolog model of SARS-CoV-2 Mpro based on SARS-CoV Mpro, which is considered as a target to inhibit the replication of CoV.

Objective: The aim of the current study was to find potential inhibitors of COVID-19 Mpro using docking analysis.

Methods: Autodockvina was used to carry out Protein-Ligand docking. COVID-19 main protease Mpro was docked with catechin and its different synthetic derivatives. Nelfinavir, an antiretroviral drug belonging to protease inhibitors, was taken as the standard.

Results: According to the result obtained, it was found that Compound (4) and Compound (1) have more affinity than nelfinavir.

Conclusion: Compounds were found to have a great potential to become COVID-19 main protease Mpro inhibitor. Nevertheless, for their medicinal use, further investigation is necessary.

Keywords: COVID-19, cetachin derivatives, docking analysis, Mpro, infection, therapy.

Graphical Abstract

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