BACKGROUND
The world is searching for the right drugs for treating the COVID-19. One of the reliable approaches is identifying the right plant source as they are readily available and economically viable.
OBJECTIVE
In the present study, a library of 271 phytochemicals from 27 medicinal plants has been virtually screened against SARS-CoV-2 by targeting nine virus proteins viz., papain-like protease, main protease, nsp 12 (RdRp), helicase, nsp14, nsp15, nsp16, E and N.
METHODS
Initially Molecular Docking was carried out to check binding potential of the phytochemicals with nine selected targets of SARS-CoV-2, followed by their ADMET analysis. Further, phylogenetic analysis was carried out to decipher the evolutionary relationship of SARS-CoV-2 proteins with other deadly viruses like hepatitis B virus (HBV), hepatitis C virus (HCV), human Herpesvirus (HHV) and human immunodeficiency virus (HIV).
RESULTS
25 phytochemicals showed various binding potential with SARS-CoV2 proteins. The phytochemical Cepharadione A from Piper longum showed binding potential against six proteins with highest binding energy -10.90 kcal/mol. Further phylogenetic similarity between total 20 proteins from SARS-CoV-2, HBV, HCV, HHV, and HIV was also evaluated and all the screened phytochemicals were validated for their percentage inhibition potential with above-mentioned viruses.
CONCLUSIONS
Thus, based on results, we suggest that identified phytochemicals might serve as potential anti-SARS-CoV-2 phytochemicals and effectively assist in controlling the rapid spread of SARS-COV-2 virus.