Catechin Derivatives as Inhibitor of COVID-19 Main Protease (Mpro): Molecular Docking studies unveil an opportunity Against CORONA

(E-pub Ahead of Print)

Author(s): Muhammad Nouman Arif*

Journal Name: Combinatorial Chemistry & High Throughput Screening
Accelerated Technologies for Biotechnology, Bioassays, Medicinal Chemistry and Natural Products Research

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Background: A new stain of corona virus COVID-19 got worldwide attention and has affected almost whole of the world 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 target to inhibit the replication of CoV.

Objective: The aim of current study is 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 is an antiretroviral drug belongs to protease inhibitors was taken as standard.

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

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

Keywords: COVID-2019, Cetachin derivatives, Docking analysis, Mpro.

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(E-pub Ahead of Print)
DOI: 10.2174/1871520620666201123101002
Price: $95

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