基于抑菌活性成分的薰衣草精油组效关系研究

基于气相色谱-质谱联用（GC/MS）分析，建立了薰衣草精油的化学成分与其抑制金黄色葡萄球菌的组效关系模型，并寻找与药效显著相关的成分。通过分析新疆3个不同品种(C-197(2)、法国蓝、H-701)的17批薰衣草精油样品，以GC/MS谱图结合保留指数（RI）对复杂未知物进行定性分析，确定了39个特征峰。采用平板菌落计数法检测薰衣草精油对痤疮主要病原菌的抑菌活性，以半抑制浓度IC₅₀为评价指标，对特征峰的相对峰面积进行主成分分析（PCA），从而将薰衣草精油分成3个类别，其中特征变量组分为芳樟醇和薰衣草醇类别样品表现出较强的抑菌活性。采用偏最小二乘（PLS）法研究薰衣草精油化学组成与抑菌活性的相关性，结果表明，抑制金黄色葡萄球菌贡献最大的物质为芳樟醇，其余依次为薰衣草醇、氧化石竹烯、α-松油醇、隐品酮、顺式-罗勒烯、橙花叔醇、芳樟醇氧化物和τ-荜澄茄醇。

Study on Composition-Activity Relationship of Lavender Essential Oil Based on Antibacterial Activity

The chemical composition-antibacterial activity relationship model of lavender essential oil was established to recognize the active compounds base on gas chromatography-mass spectrometry (GC/MS). Seventeen volatile oil samples collected in Xinjiang which belong to three different lavender species (C-197(2), French blue, H-701) were analyzed by GC/MS. In the three varieties of lavender, 39 characteristic peaks are identified by mass spectral data and retention indices from the literature. Functional properties of the essential oils were checked by determining antibacterial activity against Staphylococcus aureus and the IC₅₀ value was determined. Principal component analysis (PCA) identified three main chemical clusters among lavender essential oils. PCA analysis shows that the essential oils belong to the linalool and lavandulol cluster, which are the most antimicrobial activity. The chemical composition-antibacterial activity relationship of lavender essential oil was investigated by partial least squares analyses (PLS). The results show that linalool, lavandulol, caryophyllene oxide, α-terpineol, cryptone,cis-ocimene, nerolidol, linalool oxide and τ-cadinol are significantly related to antibacterial activity according to PLS analyses.