基于UPLC-MS非靶向代谢组技术研究当归头与尾功效差异的生物学途径

Study on the biological pathway of effective difference in the head and tail of Angelica sinensis by non-targeted UPLC-MS metabolomics profile

目的研究当归头与尾功效差异的生物学途径,阐释当归不同入药部位功效不同的科学内涵。方法在岷县西寨乡现场采集并经专家鉴定为当归Angelica sinensis的干燥根。从当归头、尾中提取代谢物,用LC-MS进样分析并进行代谢物定性和定量鉴定;经主成分分析、偏最小二乘法分析和层次聚类筛选当归头与尾差异代谢物;采用KEGG Pathway功能富集分析挖掘当归头与尾差异代谢物所参与的关键生物学途径。结果于当归头、尾中分别获取了796、540个显著差异的正离子和负离子代谢物。经KEGG Pathway功能富集分析,负离子差异代谢物富集到56条代谢通路,正离子差异代谢物富集到71条代谢通路。结论当归头与尾中有13个差异代谢物与类苯基丙烷生物合成路径相关,如7-羟基香豆素、咖啡酸、阿魏酸、莽草酸、香草醛等。

OBJECTIVE To study the biological pathway of effective difference in the head and tail of Angelica sinensis Diels by metabolic approach of UPLC-MS,and to explain the scientific connotation of different efficient locus according to traditional Chinese medical theory.METHODS The samples of A.sinensis were collected in Xizhai countryside of Minxian county and identified by relevant experts.Metabolites were extracted from the head and tail of A.sinensis and analyzed by LC-MS.Subsequently,quantitative and qualitative identified differential metabolites were analyzed by multivariate statistical analytical method in the head and tail of A.sinensis.The key biological pathway of these differential metabolites was excavated by KEGG Pathway enrichment analytical method.RESULTS 796 negative ionic differential metabolites and 540 positive ionic differential metabolites in the head and tail of A.sinensis were obtained.Negative ionic and positive ionic differential metabolites were respectively mapped to 56 and 71 metabolic pathways.CONCLUSION 13 differential metabolites in the head and tail of A.sinensis were related to phenylpropanoid biosynthesis.For example,these differential metabolites were 7-umbelliferone,caffeic acid,ferulic acid,3,4,5-trihydroxy-1-cyclohexenecarboxylic acid,vanillin,et al.