Exploring the Potential of Calotropis Procera Ait. (Asclepiadaceae) Phytocompounds against S. Aureus TyrRS

In medicinal chemistry the plant-based drugs as an alternative medicine is increasing day by day with realization of toxic effects and health hazards associated with the multiple uses of antibiotics and synthetic drugs and due to the growing resistance of pathogens to conventional antibiotics. Calotropis procera is a tropical plant distributed widely in Asia, Africa, and America and native to north Africa. It can produce a wide range of chemical compounds which are biologically active against multidrug resistance bacterial strains (ESKAPE). In this manuscript the docking analysis find out the antimicrobial potential of these plant-derived compounds against S. aureus tyrosyl-tRNA synthetase (PDB ID: 1JIJ). S. aureus tyrosyl-tRNA synthetase plays an essential role in protein synthesis by producing charged tRNAs. In this screening of docking score 83 phytocompounds selected compounds which has good binding affinity above -10 which Calotroproceryl acetate A (-10.1), L-rhamnose (-10.2) and Lupeol (-10.4). The interacting analysis showing all the three compounds, Lupeol has highest binding energy which has maximum hydrogen bond interaction with CYS37, HIS47, GLY49, HIS50, THR75, GLN174, ASP177 and GLN190. These residues are important for protein activity and therefore binding at these residues may hamper protein’s activity all the three compounds interacted with active site residue of S. aureus tyrosyl-tRNA synthetase and therefore it is hypothesized that these compounds are the putative target of the protein activity which enhance bacterial pathogenesis and survival.