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Covid-19, a serious respiratory complications caused by SARS-CoV-2 has becomeone of the global threat to human healthcare system. The present studyevaluated the possibility of plant originated approved 117 therapeutics againstthe main protease protein (MPP), RNA-dependent RNA polymerase (RdRp) and spikeprotein (S) of SARS-CoV-2 including drug surface analysis by using moleculardocking through drug repurposing approaches. The molecular interaction studyrevealed that Rifampin (-16.3 kcal/mol) were topmost inhibitor of MPP whereAzobechalcone were found most potent plant therapeutics for blocking the RdRp(-15.9 kcal /mol) and S (-14.4 kcal/mol) protein of SARS-CoV-2. After thecomparative analysis of all docking results, Azobechalcone, Rifampin,Isolophirachalcone, Tetrandrine and Fangchinoline were exhibited as the mostpotential inhibitory plant compounds for targeting the key proteins ofSARS-CoV-2. However, amino acid positions; H41, C145, and M165 of MPP playedcrucial roles for the drug surface interaction where F368, L371, L372, A375,W509, L514, Y515 were pivotal for RdRP. In addition, the drug interactionsurface of S proteins also showed similar patterns with all of its maximuminhibitors. ADME analysis also strengthened the possibility of screened planttherapeutics as the potent drug candidates against SARS-C with the highest drugfriendliness.

Virtual Screening of Plant Metabolites against Main protease,  RNA-dependent RNA polymerase and Spike protein of SARS-CoV-2: Therapeutics  option of COVID-19