The Inhibitory Effects of the Herbals Secondary Metabolites (7α-acetoxyroyleanone, Curzerene, Incensole, Harmaline, and Cannabidiol) on COVID-19: A Molecular Docking Study.

Farshid ZargariMehdi MohammadiAlireza NowrooziMohammad Hossein MorowvatEbrahim NakhaeiFatemeh Rezagholi

Published in: Recent patents on biotechnology (2024)

The general arrangement of the basis of the potential barrier of binding energies is in the order below: Cannabidiol > 7α-acetoxyroyleanone > Harmaline> Incensole > Curzerene. Finally, the range of docking scores for investigated herbal compounds on the mentioned targets indicates that the probably inhibitory effects on these targets obey the following order: main protease> RNA-dependent RNA polymerase> PLpro> NSP15> spike glycoprotein.

Keyphrases

molecular docking
molecular dynamics simulations
coronavirus disease
sars cov
molecular dynamics
ms ms
density functional theory
protein protein
atomic force microscopy
binding protein
small molecule
mass spectrometry
climate change
respiratory syndrome coronavirus