Statins and the COVID-19 main protease: in silico evidence on direct interaction.

ABSTRACT:

Introduction

No proven drug and no immunisation are yet available for COVID-19 disease. The SARS-CoV-2 main protease (Mpro), a key coronavirus enzyme, which is a potential drug target, has been successfully crystallised. There is evidence suggesting that statins exert anti-viral activity and may block the infectivity of enveloped viruses. The aim of this study was to assess whether statins are potential COVID-19 Mpro inhibitors, using a molecular docking study.

Material and methods

Molecular docking was performed using AutoDock/Vina, a computational docking program. SARS-CoV-2 Mpro was docked with all statins, while antiviral and antiretroviral drugs - favipiravir, nelfinavir, and lopinavir - were used as standards for comparison.

Results

The binding energies obtained

SUBMITTER: Reiner Z 

PROVIDER: S-EPMC7212226 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature