Flavonoids from Basil Leave as a Potential Inhibitor of SARS-COV-2 Main Protease: an In Silico Approach

Abstract

SARS-CoV2 a virus that caused the global pandemic Coronavirus 2019 (COVID19) has infected about 659.108.952 peoples, with 6.684.756 deaths in the world as stated by WHO on 23 rd December 2022. Basil leaves have antiviral potential, especially in groups of flavonoids. People exposed to the COVID19 virus are given many drugs that cause many side effects. Therefore, it is advisable to consume drugs from natural ingredients low in side effects such as basil leaves. This study aims to predict flavonoid derivative compounds from basil leaves that have the potential as an antiviral drug for COVID19 by in silico, which has high affinity with low side effects. The method used is molecular docking for target analysis, ADME prediction, and toxicity prediction. The results of this study, show there is a naringenin compound that has the highest potential to become an antiviral for COVID19 with a ∆G value of -4.04 kcal/mol and a KI of 1.09 mM. These flavonoid-derived compounds comply with Lipinski rules, so the flavonoid content in basil leaves can help treat COVID19 as a drug derived from natural ingredients that have antiviral potential with low side effects.