Journal of Virology and Infectious Diseases

Volume 1, Issue 1 (2020)

Research Article - Open Access
Exploiting In Silico Methods to Determine the Anti-viral Activities of some Phytochemicals against the SARS-CoV-2

Sajal Kumar Halder*

Department of Biochemistry and Molecular Biology, Jahangirnagar University, Dhaka, Bangladesh

*Corresponding Author:
Sajal Kumar Halder
Department of Biochemistry and Molecular Biology, Jahangirnagar University, Savar-1342, Dhaka, Bangladesh
E-mail: sajal.ju45@gmail.com

Received Date: July 04, 2020 Accepted Date: July 20, 2020 Published Date: July 27, 2020

Citation: Halder SK. Exploiting In Silico Methods to Determine the Anti-viral Activities of some Phytochemicals against the SARS-CoV-2. J Virol Infect Dis. 2020;1(1): 2-12.

Copyright: © 2020 Halder SK. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

Abstract

SARS-CoV-2 virus which has become a serious health concern, is a highly transmittable and pathogenic virus. Though several drugs like chloroquine, arbidol, remdesivir, and favipiravir are showing positive results in clinical trials, there is still no specific drug identified to fight against this virus. This paper is mainly focused on this to find a novel drug using different tools of bioinformatics and computational biology like molecular docking, molecular dynamics simulation, PASS prediction, P450 site of metabolism prediction, drug likeness properties analysis and ADMET analysis. Through these prediction tools, Quercetin was identified as a promising candidate to inhibit the SARS-CoV-2 virus. Apart from this compound’s high binding score and high molecular stability with viral receptors, it also showed good solubility, pharmacodynamics properties and drug likeness properties. This study contributes to search new drugs against this virus and help researcher in designing specific drug for the treatment of COVID-19 patients.

Keywords

SARS-CoV-2; COVID-19; Phytochemicals; Molecular Dynamics Simulation; Anti- viral agents