基于谱效关联分析挖掘艾叶挥发油抑菌的质量标志物

Screening quality markers for antibacterial activity of Artemisia argyi leaves essential oil based on spectrum-effect relationships

基于谱效关联分析筛选艾叶挥发油抑菌活性的质量标志物(Q-markers)。采用水蒸气蒸馏法提取得到艾叶挥发油,选择气相-质谱联用仪(GC-MS)构建15批艾叶挥发油样品的指纹图谱,进行热图、聚类分析;检测不同批次艾叶挥发油对白色念珠菌、大肠杆菌、金黄色葡萄球菌的抑菌活性;并采用灰色关联分析及单体成分验证实验筛选艾叶挥发油质量标志物。GC-MS检测鉴定出49种化学成分,主要为单萜类、倍半萜类及其氧化物。指纹图谱筛选出17个共有峰,包括桉树脑、樟脑和龙脑等,相似度在0.96~0.99。聚类分析结果可将不同产区艾叶分为两类。相对含量较高且热图显示差异较大的成分有桉树脑、樟脑、龙脑、松油醇。15批次艾叶挥发油对白色念珠菌抑菌圈在9.00~11.56 mm;对大肠杆菌的抑菌圈在9.33~12.44 mm;对金黄色葡萄球菌的抑菌圈在9.33~12.89 mm。灰色关联分析结果表明艾叶挥发油抑菌活性的潜在质量标志物是桉树脑、樟脑和龙脑。单体抑菌实验结果表明除桉树脑外与灰色关联分析结果基本一致。因此筛选出艾叶挥发油抑菌活性的质量标志物为樟脑和龙脑。

This study aims to screen for antimicrobial Q-markers of Artemisia argyi Levl.et Vant.essential oil based on spectrum-effect relationships.The A.argyi essential oil was extracted by steam distillation method.The fingerprint of 15 batches samples was constructed by gas chromatography-mass spectrometer(GC-MS),and then the heat map and cluster analysis were performed.The antibacterial activities of different batches of A.argyi essential oil against Candida albicans,Escherichia coli and Staphylococcus aureus were detected.And then the Q-markers was screened by grey correlation analysis and monomer composition verification experiment.The results found that forty-nine chemical components were identified by GC-MS,and seventeen common peaks were screened out,including eucalyptol,(+)-2-bornanone,endo-borneol,etc,with the similarity between 0.96-0.99.The results of cluster analysis can be divided into two categories.The component with high abundance and greater differences in heat map display in the essential oil were selected as eucalyptol,(+)-2-bornanone,endo-borneol,and terpinen-4-ol.The inhibition zone of 15 batches of essential oil against C.albicans,E.coli and S.aureus was 9.00-11.56,9.33-12.44 and 9.33-12.89 mm,respectively.The results of grey correlation analysis showed that eucalyptol,(+)-2-bornanone and endo-borneol were the potential Q-markers for the antibacterial activity of A.argyi essential oil.The verification test results also showed that the activity of other compounds was consistent with the results of grey correlation analysis except for eucalyptol.In conclusion,(+)-2-bornanone and endo-borneol were the main Q-markers of A.argyi essential oil against bacteria.