In vitro and in silico evaluation of antibacterial activities of different solvent extracts made from Sisymbrium irio L. seeds

Sisymbrium irio Linn is one of the underutilized plants, well-known for its traditional importance in Unani Medicine. The present study aimed to evaluate the antibacterial activities of different polarity-based extracts made from seeds of S.irio (Indian variety).The antibacterial activity of 13 different solvent extracts of S.irio seeds was evaluated by the Agar well-diffusion method. Among 13 different solvent seed extracts, ethanolic extract inhibited the growth of all the three bacterial strains used in the study. Further GC-MS analysis of ethanolic extract was done to reveal its phytochemical constituents. Twenty-five different compounds were identified through GC-MS analysis of ethanolic extract of S.irio seeds. Subsequently, for performing in silico antibacterial studies, the identified phytochemicals were first tested for their drug-likeability through Molinspiration software which yielded four compounds. In silico virtual screening via Autodock Vina was done using four phytochemicals against DNA gyrase subunit B and Dihydrofolate reductase. Out of four phytochemical studied through in silico analysis, “Benzene-1,2-dicarboxylicacid, monoamide, N-(1-cyano-1-methylethyl)” was found to inhibit DNA gyrase subunit B most effectively. The present study revealed that Sisymbrium irio displayed potential antibacterial activity and can be used as a good source for designing potent antibacterial agents.