Fragaria Indica ethanolic extracts: bioactive compounds identification, ADMET analysis and putative inhibitors of bla-TEM beta-lactamase from foodborne bacterial pathogens.

Fragaria indica stem, leaf, and root extract was used to assess the antimicrobial activity against bla-TEM beta-lactamase producing Shigella flexneri, Salmonella typhi, and Escherichia coli. Ethanolic extracts of F. indica leaves exhibited a maximum zone of inhibition of 20 ± 1.2 mm (p <= 0.001), 18 ± 1.4 mm (p <= 0.001), and 16 ± 1.5 mm (p <= 0.001) against E. coli, S. flexneri, and S. typhi, respectively. To identify different compounds, the bioactive ethanolic leaf extracts were further processed for HPLC, GC-MS, ADMET, and docking analysis. In the ethanolic leaf extract, 19 phenolic compounds were identified in HPLC analysis. Three phenolic compounds, including Isorhamnetin-3-rutinoside, 5, 7-Dihydroxy-4' -methoxyflavone, and Luteolin, were for the first time reported in F. indica. In GC-MS analysis, sixteen compounds were identified. From the literature search, among the identified compounds, AlphaHimachalene, 1,3-Diphenyl-1-((trimethylsilyl)oxy)-1(Z)-heptene, 1H-Benzocycloheptene, Bicyclo[5.2.0] nonane, cis-1,1,3,4-Tetramethylcyclopentane, Bicyclo[2.2.2]octane-cis-2,3-diyl Carbonate, BetaHimachalene and 2-methylene-4,8,8-trimethyl-4-vinyl were reported for the first time in F. indica. Two compounds, including Alpha-Himachalene and Bicyclo[2.2.2]octane-cis-2,3-diyl carbonate, having good water solubility, drug likeness, and medicinal characteristics, were selected for docking analysis. Docking of Alpha-Himachalene and Bicyclo[2.2.2]octane-cis-2,3-diyl carbonate showed interaction with Pro-26, Phe-22, and Ala-23 residues of bacterial bla-TEM beta-lactamase. Similarly, Bicyclo[2.2.2] octane-cis-2,3-diyl carbonate interacts with amino acid residues of Ala-235 and Ser-233 of bla-TEM beta-lactamase. Further studies will help to characterize the anti-infective compounds against bla-TEM producing foodborne bacterial pathogens.