Antibacterial Activity of Distichochlamys Orlowii K. Larsen and M. F. Newman Essential Oil against Streptococcus pyogenes and Streptococcus pneumoniae: In Vitro Evidence and In Silico Prediction
نویسندگان
1 Department of Natural Sciences & Technology, Tay Nguyen University, Buon Ma Thuot, Dak Lak, Vietnam
2 Department of Chemistry, University of Sciences, Hue University, Hue, Vietnam
3 Faculty of Basic Sciences, University of Medicine and Pharmacy, Hue University, Hue, Vietnam
4 Faculty of Traditional Medicine, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City 700000, Vietnam
5 Faculty of Traditional Medicine, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City 700000, Vietnam
6 Mientrung Institute for Scientific Research, Vietnam National Museum of Nature, Vietnam Academy of Science and Technology (VAST), Hue, Vietnam
7 Laboratory of Experimental Endocrinology – LEEx, Institute of Biomedical Sciences, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil
8 Department of Chemistry, University of Sciences, Hue University, Hue, Vietnam
9 Department of Chemistry, University of Sciences, Hue University, Hue, Vietnam
10 Department of Chemistry, University of Sciences, Hue University, Hue, Vietnam
11 Falcuty of Pharmacy, Hue University of Medicine and Pharmacy, Hue University, Hue, Vietnam
12 Hue University, Hue, Vietnam
13 Faculty of Traditional Medicine, Can Tho University of Medicine and Pharmacy, Can Tho, Vietnam
14 Department of Chemical Sciences, Biochemistry Unit, Afe-Babalola University, Ado-Ekiti, Ekiti State, Nigeria
doi
10.48309/ajgc.2026.561172.1878چکیده
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: 64 and 128 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 ≈ -10 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.
