基于非靶向代谢组学的苍耳不同药用部位代谢产物特征分析

Analysis of Metabolite Characteristics in Different Medicinal Parts of Xanthium sibiricum Patr.Based on Non-targeted Metabolomics

目的:分析苍耳不同药用部位之间代谢产物的差异。方法:采用超高效液相色谱-电喷雾离子源-质谱法(UPLC-ESI-MS)对苍耳根、茎和叶进行测定;用主成分分析(PCA)和偏最小二乘法-判别分析(PLS-DA)进行数据处理;通过对代谢物精确相对分子质量及碎片信息的确认,结合软件数据库搜索鉴定代谢物;对差异代谢物进行京都基因与基因组百科全书(KEGG)通路富集分析。结果:苍耳的根、茎和叶的化学组成得到有效区分,从3个部位中共鉴定出5902个代谢物,筛选出64个差异代谢物,主要富集在植物次生代谢物质的生物合成,癌症中的中央碳代谢,鸟氨酸、赖氨酸和烟酸生物合成生物碱等通路。结论:从苍耳根、茎和叶代谢产物差异的角度揭示不同部位药性、药效差异的物质基础,为苍耳类中药资源的最大化综合利用提供参考。

Objective:To analyze the difference of metabolites from different medicinal parts of Xanthium sibiricum Patr..Methods:The samples of root,stem,and leaf of X.sibiricum were determined by ultra-high performance liquid chromatography-electron spray ionization-mass spectrometry(UPLC-ESI-MS).Principal component analysis(PCA)and partial least-squares discriminant analysis(PLS-DA)were used for data processing.The components were identified by confirming the accurate relative molecular weight of metabolites and fragmentation information,combined with the software database search.Different metabolites were analyzed for enrichment of Kyoto encyclopedia of genes and genomes(KEGG)pathways.Results:The chemical components in root,stem,and leaf samples of X.sibiricum were clearly distinguished.A total of 5902 metabolites were identified from the above samples,and 64 different metabolites were screened,which were mainly enriched in the biosynthesis of plant secondary metabolites,central carbon metabolism in cancer,and the biosynthesis of alkaloids from ornithine,lysine,and niacin.Conclusion:From the perspective of the different metabolites in the root,stem,and leaf of X.sibiricum,the study can provide a material basis for revealing the property and efficacy in different parts of X.sibiricum and lay the foundation for the maximum comprehensive utilization of traditional medicinal resources of X.sibiricum.