PJB-2025-175
ISOLATION OF COMPOUNDS FROM DESMANTHUS VIRGATUS LEAVES AS ANTIBACTERIAL STAPHYLOCOCCUS AUREUS AND ESCHERICHIA COLI: IN SILICO AND IN VITRO STUDY
Syahrul Hendrawan
Abstract
The exploration of wild plants as antibacterial candidates continues to be developed to overcome cases of bacterial infections of Staphylococcus aureus and Escherichia coli. Desmanthus virgatus is a wild plant that contains various secondary metabolite compounds such as steroids, alkaloids, flavonoids, tannins, and saponins that are thought to have antibacterial activity. This study aims to isolate compounds from the n-hexane extract of D. virgatus leaves and evaluate their antibacterial activity against S. aureus and E. coli. The isolation process begins with separating the extract using gravity column chromatography to obtain pure isolate compounds. The isolate compound was then characterized using FT-IR, 1H-NMR, 13C-NMR, 2D NMR (HMQC, HMBC), and APT spectroscopic instruments. Based on spectroscopic analysis and literature study, the compound was identified as β-sitosterol which was then further analyzed for its antibacterial activity in silico and in vitro. Molecular docking study of β-sitosterol compound was conducted against target proteins of S. aureus and E. coli to analyze the binding affinity value and antibacterial potential of β-sitosterol compound compared to ciprofloxacin. Molecular docking analysis of β-sitosterol has a binding affinity to S. aureus -11.69 kcal/mol and E. coli -10.17 kcal/mol which is more negative than ciprofloxacin, resulting in stronger binding affinity. These results were proven in vitro through the agar disc diffusion method to determine the inhibition zone activity of β-sitosterol compounds against S. aureus and E. coli bacteria. The β-sitosterol compound exhibited antibacterial activity by inhibiting the growth of S. aureus and E. coli, with inhibition zones of 17.69 mm and 18.51 mm, respectively, at a concentration of 500 ppm. These results suggest that β-sitosterol has potential as an antibacterial agent against both test bacteria.
To Cite this article:
Under Review
We Welcome Latest Research Articles In Field Of Botany The Pakistan Journal of Botany is an international journal .... Read More
