Molecular Docking of Moringa Oleifera Compounds with Human Ace2 Receptor: For Covid-19 Drug Candidate

ABSTRACT

COVID-19 is an infectious disease caused by a new coronavirus called Sars Corona Virus-2 (SARS-CoV-2). SARS-CoV-2 which can infect humans due to an interaction between the Spike glycoprotein (protein S) virus and these Angiotensin-converting enzyme 2 (ACE2) receptor. Moringa oleifera is a plant known as phytomedicines and has excellent benefits. This study aims to identify the physicochemical characteristics of compounds in M. oleifera and their potential for blocking interactions between S glycoprotein and ACE2 receptors. ADMET analysis was conducted by using the TCMSP web-based application and evaluated by using the Lipinski and TCMSP criteria. The docking process used the Chimera UCSF program so that the grid box region and its affinity energy values are known. The results showed that phytol compounds have the most physicochemical characteristics following Lipinski and TCSM criteria and have the lowest affinity energy when interacting with ACE2 receptors. This study concluded that phytol is a compound in Moringa oleifera which has the smallest pharmacological effect and has the most potential for preventing interactions between SARS-CoV-2 S protein and ACE2 receptors. Copyright © 2022, Veterinary Practitioner. All rights reserved.