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<p><i>Mentha arvensis</i> L. (wild mint) is a perennial herb widely used in traditional medicine to alleviate wind-heat symptoms such as colds, headaches, and skin eruptions. Although its essential oil has been investigated in several regions, no report has described the composition of <i>M. arvensis</i> cultivated in Dak Lak Province, Vietnam. In this study, gas chromatography–mass spectrometry (GC–MS) was employed to characterize the volatile constituents of the essential oil, and its biological activities were examined using antioxidant and antibacterial assays. The 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical-scavenging test and agar disc diffusion method were used to evaluate antioxidant and antibacterial potential, respectively. Molecular docking simulations were further performed to assess the binding affinities of the major compounds toward the bacterial enzyme DNA gyrase subunit B (GyrB) from <i>Escherichia coli</i>. The essential oil yield was 0.75% (w/w, fresh weight), and 59 compounds were identified, with menthol (56.93%), menthone (15.90%), <i>trans</i>-carane (9.77%), and piperitone (6.22%) as the dominant components. The oil showed moderate antioxidant activity (IC<sub>50</sub> = 89.36 ± 1.12&#xa0;µg/mL) compared with ascorbic acid (IC<sub>50</sub> = 44.12 ± 1.08&#xa0;µg/mL) and exhibited no antibacterial effect against <i>E. coli</i> within the tested range (0.50–2.00&#xa0;mg/mL). Molecular docking yielded weak-to-moderate interactions between the principal constituents and GyrB (– 5.608 to − 4.795&#xa0;kcal/mol), consistent with limited standalone inhibitory potential. Overall, the essential oil of <i>M. arvensis</i> from Dak Lak presents a distinct chemical profile and moderate antioxidant potential, providing a foundation for future studies on its pharmacological and therapeutic applications.</p>

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Chemical composition and biological activities of Mentha arvensis essential oil: in vitro and in silico studies

  • 期刊论文

  • 发表日期：

    2025年12月3日

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  • Truong Nhan Ngu,
  • Dam Thi Bich Hanh,
  • Phuong Dai Nguyen Nguyen,
  • Viet-An Thi Nguyen,
  • Thuy Mi Pham Lam,
  • Thi Kim An Nguyen,
  • Phi Hung Nguyen,
  • Le Minh Hoang,
  • Dao Cuong To

摘要

Mentha arvensis L. (wild mint) is a perennial herb widely used in traditional medicine to alleviate wind-heat symptoms such as colds, headaches, and skin eruptions. Although its essential oil has been investigated in several regions, no report has described the composition of M. arvensis cultivated in Dak Lak Province, Vietnam. In this study, gas chromatography–mass spectrometry (GC–MS) was employed to characterize the volatile constituents of the essential oil, and its biological activities were examined using antioxidant and antibacterial assays. The 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical-scavenging test and agar disc diffusion method were used to evaluate antioxidant and antibacterial potential, respectively. Molecular docking simulations were further performed to assess the binding affinities of the major compounds toward the bacterial enzyme DNA gyrase subunit B (GyrB) from Escherichia coli. The essential oil yield was 0.75% (w/w, fresh weight), and 59 compounds were identified, with menthol (56.93%), menthone (15.90%), trans-carane (9.77%), and piperitone (6.22%) as the dominant components. The oil showed moderate antioxidant activity (IC50 = 89.36 ± 1.12 µg/mL) compared with ascorbic acid (IC50 = 44.12 ± 1.08 µg/mL) and exhibited no antibacterial effect against E. coli within the tested range (0.50–2.00 mg/mL). Molecular docking yielded weak-to-moderate interactions between the principal constituents and GyrB (– 5.608 to − 4.795 kcal/mol), consistent with limited standalone inhibitory potential. Overall, the essential oil of M. arvensis from Dak Lak presents a distinct chemical profile and moderate antioxidant potential, providing a foundation for future studies on its pharmacological and therapeutic applications.