Antimicrobial Potential of Sphaeranthus indicus Against Staphylococcus aureus: A Computational Approach

Abstract

Sphaeranthus indicus is one of the multipurpose medicinal plants widely used as antimicrobial, wound-healing, anti-arthritics, immunostimulant, immunomodulatory, neuroleptic, etc. activities. Computer-aided drug discovery/design (CADD) methods have been developed to identify the promising compounds with advantage over complexity, cost, time consumption, risk and may lead to their development as drugs. The aim of this study is to evaluate the antimicrobial potential of phytochemicals from Sphaeranthus indicus through Molecular docking and ADMET prediction. In this study, 54 bioactive compounds from Sphaeranthus indicus were tested against four bacterial target protein tyrosyl tRNA synthetase, Dihydrofolate reductase, Gyrase B and sortase A of Staphylococcus aureus to determine the potential antimicrobial activity of Sphaeranthus indicus. This study is investigated with the help of molecular docking study and ADMET prediction method. 14 compounds were found as potential inhibitor of Staphylococcus aureus by inhibiting either one or four target protein. These compounds were found to be safe and have good ADMET properties and showed promising potentials that may lead to their development as drugs target against Staphylococcus aureus.