Speaker
Description
Abstract:- COVID-19, a new strain of coronavirus (CoV), has affected more than 200 countries and received worldwide attention. Till now, there is no specific therapies or vaccines are available, and investigations concerning COVID-19 treatment are lacking. The aim behind our study is to evaluate the efficacy of several medicinal plant-based bioactive compounds against COVID-19 main protease, and these selected plants are frequently used in the Arabic area for treating viral infections, that might directly inhibit 2019 novel coronavirus. The method is based on a docking analysis that used to test whether the compound had the potential for direct COVID-19 protein interaction. Molecular docking investigations were achieved using Autodock 4.2 to analyze the inhibition probability of these compounds against COVID-19. COVID-19 Mpro was docked with 36 compounds, and the binding energies were obtained from the docking of (PDB ID: 6LU7: Resolution 2.16 Å) with the native ligand (N3). According to obtained results, Betulinic acid (-10.0 Kcal/mol), Silibinin (-9.13 Kcal/mol), Oleanolic acid (-9.08 Kcal/mol), epigallocatechin-3-gallate (-8.51 Kcal/mol), , showed higher binding affinity to 6LU7 than N3 (-8.42 Kcal/mol), chloroquine (-7.12 Kcal/mol), and hydroxychloroquine (-7.35 Kcal/mol).This study concluded that Arabic herbal, which classically used for treating viral infection, might contain compounds with potential therapy against COVID-19.
| Has the manuscript been published? | Published |
|---|---|
| Intend to be published in the conference journal (IJPS)? | No |
| Field/discipline | pharmacognosy |
