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薰衣草(Lavandula angustifolia Mill.)精油的抗菌活性:体外和计算机模拟评估

Antimicrobial Activity of Lavender Essential Oil from Mill.: In Vitro and In Silico Evaluation.

作者信息

Stamova Sylvia, Ermenlieva Neli, Tsankova Gabriela, Georgieva Emilia

机构信息

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Medical University of Varna, 9000 Varna, Bulgaria.

Department of Microbiology and Virusology, Faculty of Medicine, Medical University of Varna, 9000 Varna, Bulgaria.

出版信息

Antibiotics (Basel). 2025 Jun 28;14(7):656. doi: 10.3390/antibiotics14070656.

Abstract

The increasing prevalence of antimicrobial resistance (AMR) demands novel strategies, including the use of plant-derived agents. This study investigates the chemical profile and in vitro antimicrobial activity of essential oil from (LEO), cultivated in Northeastern Bulgaria. Gas chromatography-mass spectrometry (GC-MS) analysis confirmed the presence of a linalool/linalyl acetate chemotype, characteristic of high-quality lavender oil. LEO demonstrated significant inhibitory activity against ATCC 25922, with minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) values of 0.31% (/) and moderate to weak activity against other Gram-positive and fungal strains. Time-kill assays revealed a concentration-dependent bactericidal effect on . The addition of LEO at subinhibitory concentrations increased the inhibition zones for all antibiotics. In silico analysis identified functional protein clusters potentially modulated by LEO constituents, including targets related to membrane integrity and metabolic regulation. The findings indicate the potential of lavender essential oil as a natural antimicrobial adjuvant; however, additional in vivo and clinical investigations are necessary to validate its therapeutic use. Furthermore, molecular docking analysis revealed a high binding affinity of linalool and linalyl acetate towards the FabI protein of , suggesting a potential inhibitory mechanism at the molecular level.

摘要

抗菌药物耐药性(AMR)的日益普遍需要新的策略,包括使用植物源药物。本研究调查了保加利亚东北部种植的薰衣草精油(LEO)的化学组成和体外抗菌活性。气相色谱-质谱联用(GC-MS)分析证实其存在芳樟醇/乙酸芳樟酯化学型,这是高品质薰衣草油的特征。LEO对金黄色葡萄球菌ATCC 25922表现出显著的抑制活性,最低抑菌浓度(MIC)和最低杀菌浓度(MBC)值为0.31%(v/v),对其他革兰氏阳性菌和真菌菌株的活性为中度至弱度。时间杀菌试验显示对金黄色葡萄球菌有浓度依赖性杀菌作用。在亚抑菌浓度下添加LEO可增加所有抗生素的抑菌圈。计算机分析确定了可能受LEO成分调节的功能蛋白簇,包括与膜完整性和代谢调节相关的靶点。研究结果表明薰衣草精油作为天然抗菌佐剂的潜力;然而,需要进一步的体内和临床研究来验证其治疗用途。此外,分子对接分析显示芳樟醇和乙酸芳樟酯对金黄色葡萄球菌的FabI蛋白具有高结合亲和力,提示在分子水平上可能存在抑制机制。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d84/12291901/528cd77c8b41/antibiotics-14-00656-g001.jpg

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