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<p>Leaf essential oil of <i>Citrus nobilis</i> cultivated in Dak Lak Province, Vietnam, was investigated to characterize its chemical composition and biological activities using integrated experimental and in silico approaches. The oil was obtained by hydrodistillation and analyzed by gas chromatography-mass spectrometry (GC–MS). The essential oil exhibited a limonene-rich profile, with limonene (56.13%) as the predominant constituent, together with several oxygenated monoterpenes and additional minor constituents. The essential oil exhibited moderate antibacterial activity against <i>Escherichia coli</i>, α-glucosidase inhibitory activity (IC<sub>50</sub> = 286.1&#xa0;µg/mL), and stronger protein denaturation inhibitory activity (IC<sub>50</sub> = 154.4&#xa0;µg/mL). Molecular docking supported the experimental findings, indicating predominantly hydrophobic interactions. ADMET (absorption, distribution, metabolism, excretion, and toxicity) prediction suggested acceptable drug-likeness and low acute toxicity. These results highlight the chemical distinctiveness and biological potential of <i>C. nobilis</i> leaf essential oil from Dak Lak.</p>

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Chemical composition, biological activities, and in silico insights of Citrus nobilis leaf essential oil from Dak Lak, Vietnam

  • 期刊论文

  • 发表日期：

    2026年7月4日

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  • Truong Nhan Ngu,
  • Thi Bich Hanh Dam,
  • Phuong Dai Nguyen Nguyen,
  • Hoai An Thi Nguyen,
  • Thi Kim An Nguyen,
  • Phi Hung Nguyen,
  • Tien Lam Do,
  • Viet Tuan Trinh,
  • Viet An Thi Nguyen,
  • Tien Khi Nguyen,
  • Dao Cuong To

摘要

Leaf essential oil of Citrus nobilis cultivated in Dak Lak Province, Vietnam, was investigated to characterize its chemical composition and biological activities using integrated experimental and in silico approaches. The oil was obtained by hydrodistillation and analyzed by gas chromatography-mass spectrometry (GC–MS). The essential oil exhibited a limonene-rich profile, with limonene (56.13%) as the predominant constituent, together with several oxygenated monoterpenes and additional minor constituents. The essential oil exhibited moderate antibacterial activity against Escherichia coli, α-glucosidase inhibitory activity (IC50 = 286.1 µg/mL), and stronger protein denaturation inhibitory activity (IC50 = 154.4 µg/mL). Molecular docking supported the experimental findings, indicating predominantly hydrophobic interactions. ADMET (absorption, distribution, metabolism, excretion, and toxicity) prediction suggested acceptable drug-likeness and low acute toxicity. These results highlight the chemical distinctiveness and biological potential of C. nobilis leaf essential oil from Dak Lak.