Journal of Food and Pharmaceutical Science
Vol 10, No 1 (2022): J.Food.Pharm.Sci

In Silico Studies on The Potential of Green Tea Catechin Compounds (Camellia sinensis) as Antiviral of SARS CoV-2 Againts Spike Glycoprotein (6LZG) and Main Protease (5R7Y)

Futna Naufa (Program Studi Farmasi, Fakultas Kedokteran dan Ilmu Kesehatan, Universitas Islam Negeri Maulana Malik Ibrahim Malang, Malang, Indonesia)
Roihatul Mutiah (Program Studi Farmasi, Fakultas Kedokteran dan Ilmu Kesehatan, Universitas Islam Negeri Maulana Malik Ibrahim Malang, Malang, Indonesia)
Yen Yen Ari Indrawijaya (Program Studi Farmasi, Fakultas Kedokteran dan Ilmu Kesehatan, Universitas Islam Negeri Maulana Malik Ibrahim Malang, Malang, Indonesia)



Article Info

Publish Date
26 Mar 2022

Abstract

COVID-19 is a disease caused by SARS CoV-2 by producing structural proteins and non-structural proteins. SARS CoV-2 uses a spike glycoprotein to bind ACE-2 receptors in host cells and uses main protease to replicate. This research aims to screen green tea catechin derivates as an antiviral for SARS CoV-2 through inhibition of spike glycoprotein (6LZG) and main protease (5R7Y). In silico studies carried out are molecular docking, prediction of physicochemical properties, and prediction of toxicity. The potential inhibition was assessed based on binding affinity and interaction of amino acid residues. From the molecular docking process showed that epicatechin and epigallocatechin provide inhibition to spike glycoprotein better than nafamostat indicated by binding affinity of -5.2 kcal/mol and -4.5 kcal/mol, while epigallocatechin gallate and epicatechin gallate provide inhibiton to main protease better than lopinavir with binding affinity of -8.7 kcal/mol and -8.3 kcal/mol. The results of the physicochemical properties prediction showed that only epigallocatechin gallate that did not fulfill five Lipinski's rule. Based on the toxicity class LD50, the derivates of catechin belong to classes 4 and 6. In conclusion, it can be known that epicatechin and epigallocatechin can be developed as an antiviral for SARS CoV-2.

Copyrights © 2022






Journal Info

Abbrev

jfps

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Chemistry Immunology & microbiology Medicine & Pharmacology

Description

FOCUS AND SCOPE Journal of Food and Pharmaceutical Sciences offers scientists, researchers, and other professionals to share knowledge of scientific advancements. The journal will publish original research articles, review articles, short communication, and letter to editor. The area of focus should ...