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<p><i>Acorus calamus</i> (sweet flag) has been frequently utilised in traditional Asian and Mongolian medicine due to its medicinal and fragrant properties. This study analysed β-asarone-free essential oils extracted from the leaves, rhizomes, and roots of the greenhouse-acclimatised, tissue-cultured diploid <i>A. calamus</i> grown in Mongolia using GC-MS. The leaf, rhizome, and root oils contained a total of 29, 46, and 17 constituents, respectively. Geranyl acetate (79.54%) in leaf oil, acorenone B (10.31%) in rhizome oil, and acorenone (10.08%) in root oil were the main constituents. All oils from the leaves, rhizomes, and roots of diploid <i>A. calamus</i> contained four compounds: camphene, acorenone, acorenone B, and β-selinene. Antimicrobial testing showed that the oils most effectively inhibited the growth of <i>Staphylococcus aureus</i> (MIC value of 32&#xa0;mg/mL), followed by <i>Fusarium oxysporum</i> (64&#xa0;mg/mL), <i>Saccharomyces cerevisiae</i> (128&#xa0;mg/mL), and <i>Escherichia coli</i> (256&#xa0;mg/mL). Molecular docking showed that β-selinene exhibited the highest binding affinity to the target proteins FtsA and penicillin-binding protein 3 of <i>S. aureus</i>, suggesting its potential as an antimicrobial agent. This study highlights the unique chemical composition of essential oils from Mongolian-grown diploid <i>A. calamus</i>, which lacks the hazardous β-asarone, and suggests that these oils may hold value for medicinal and cosmetic applications.</p>

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Chemical Composition, Antimicrobial, and in Silico Molecular Docking Analysis of β-Asarone-Free Essential Oils from Diploid Acorus calamus L. in Mongolia

  • 期刊论文

  • 发表日期：

    2026年4月18日

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  • Javzmaa Namshir,
  • Selenge Munkhtsetseg,
  • Nomuun Tsevegsuren,
  • Nyamsuren Erdenetsogt,
  • Oyunbileg Yungree,
  • Purevdorj Erdenetsogt,
  • Bolor Tsolmon,
  • Solongo Amgalan,
  • Vu Thanh Loc,
  • Tran Thu Huong,
  • Nguyen Xuan Ha,
  • Dinh Thi Thu Thuy,
  • Ngo Kim Chi,
  • Truong Ngoc Hung,
  • Do Huu Nghi,
  • Chu Quang Truyen,
  • Nguyen Manh Cuong

摘要

Acorus calamus (sweet flag) has been frequently utilised in traditional Asian and Mongolian medicine due to its medicinal and fragrant properties. This study analysed β-asarone-free essential oils extracted from the leaves, rhizomes, and roots of the greenhouse-acclimatised, tissue-cultured diploid A. calamus grown in Mongolia using GC-MS. The leaf, rhizome, and root oils contained a total of 29, 46, and 17 constituents, respectively. Geranyl acetate (79.54%) in leaf oil, acorenone B (10.31%) in rhizome oil, and acorenone (10.08%) in root oil were the main constituents. All oils from the leaves, rhizomes, and roots of diploid A. calamus contained four compounds: camphene, acorenone, acorenone B, and β-selinene. Antimicrobial testing showed that the oils most effectively inhibited the growth of Staphylococcus aureus (MIC value of 32 mg/mL), followed by Fusarium oxysporum (64 mg/mL), Saccharomyces cerevisiae (128 mg/mL), and Escherichia coli (256 mg/mL). Molecular docking showed that β-selinene exhibited the highest binding affinity to the target proteins FtsA and penicillin-binding protein 3 of S. aureus, suggesting its potential as an antimicrobial agent. This study highlights the unique chemical composition of essential oils from Mongolian-grown diploid A. calamus, which lacks the hazardous β-asarone, and suggests that these oils may hold value for medicinal and cosmetic applications.