Antibacterial Activity of Distichochlamys Orlowii K. Larsen and M. F. Newman Essential Oil against Streptococcus pyogenes and Streptococcus pneumoniae: <em style="mso-bidi-font-style: normal;">In Vitro Evidence and <em style="mso-bidi-font-style: normal;">In Silico Prediction

Distichochlamys orlowii is an endemic plant from Vietnam that has been used traditionally for its medicinal properties, although its therapeutic potential has not yet been scientifically validated. This study aimed to investigate the antibacterial activity of D. orlowii essential oil against the respiratory pathogens Streptococcus pyogenes and S. pneumoniae using a combined experimental and in silico approach. The antibacterial efficacy of the essential oil was determined using minimum inhibitory concentration (MIC) assays. Its chemical profile was analyzed, and the major constituents were subsequently evaluated using computational methods, including molecular docking against the luxS protein, quantum chemical calculations, and ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) prediction. The oil exhibited potent antibacterial activity (MICs: ۶۴ and ۱۲۸ µg.mL⁻¹). Eucalyptol, α-citral, and β-citral were identified as the primary components. Molecular docking predicted strong inhibitory potential for these compounds (binding energies ≈ -۱۰ kcal.mol⁻¹). Further computational analysis highlighted the superior therapeutic properties and favorable ADMET profiles of α- and β-citral, suggesting high efficacy and low toxicity. Overall, D. orlowii essential oil presents a promising source for developing agents aimed at supporting respiratory health. Its major components, particularly α-citral and β-citral, are strong candidates for further research and development into novel therapeutic products.

کلیدواژه ها:

Distichochlamys orlowii ، Streptococcus pyogenes ، Streptococcus pneumonia