Docking Studies on the Effects of Some Bioactive Compounds from Pistacia atlantica Desf. against Main Protease SARS-CoV2

Abstract

Novel coronavirus which was named later as SARS-CoV2 appeared in Wuhan, China, in the end of December 2019. Actually, no precise drugs are existed and research concerning SARS-CoV2 treatment is deficient. SARS-CoV2 main protease (Mpro) was crystallized by Liu et al. (2020) and represented a crucial drug target. The present work aimed to evaluate some bioactive compounds from Pistacia atlantica as possible SARS-CoV2 Mpro inhibitors, based on molecular docking approach. Molecular docking was carried out using AutoDock Vina software. The results indicated that Beta-Eudesmol, Elemol, Verbenol, Pinocarvone, Myrtenal, Myrtenol and Trans-Carveol have a potential inhibitor activity of SARS-CoV2 Mpro. Nevertheless, further investigations are required to develop and optimize drug process to combat SARS-CoV2.