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

Abstract

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.