基于NMR代谢组学技术的当归不同部位化学成分比较

目的拟对当归Angelica sinensis不同部位的化学成分进行比较。方法运用核磁代谢组学技术对当归的不同部位进行了代谢组学化学成分比较。并采用主成分分析、正交偏最小二乘法、单变量分析等统计方法对当归不同部位的代谢产物进行了比较分析。结果通过核磁图谱共指认出包括初级和次级代谢产物共36种。多种统计分析发现,当归头部量较高的成分包括缬氨酸、异亮氨酸等;主要分布于尾部的成分包括Z-丁烯基苯肽、cis-Z,Z′-3α,7α′,7α,3α′-dihydroxyligustilide等;主要分布于身部的成分包括色氨酸、阿魏酸松柏酯;在头部和尾部量均较高的成分包括天冬氨酸、Z-藁本内酯等;在3个部分无明显差异的成分包括丙氨酸、精氨酸等。结论采用的核磁共振指纹可同时表征当归中的初级和次级代谢产物,研究结果可为进一步揭示当归不同部位功效与化学成分的相关性奠定基础。

Chemical comparison on different parts of Angelica sinensis Radix based on NMR metabolomics

Objective To compare the chemical constituents in different parts of Angelica Sinensis Radix (ASR). Methods In this study, NMR-based metabolomics approach was used to compare the chemical constituents of different parts in ASR. And the metabolites of different parts in ASR were analyzed using PCA, OPLS-DA, and univariate analysis. Results Totally 36 metabolites were identified in the NMR spectra. Multivariate analysis revealed that higher levels of some compounds, such as valine and isoleucine, were present at the head of ASR, while the tail showed higher contents of Z-butylidenephthalide, cis-Z,Z''-3a.7a,7a.3a''-dihydroxyligustilide, etc. The body showed higher contents of tryptophan, coniferyl ferulate, and the levels of aspartic acid, Z-ligustilide, etc were present at higher levels in both head and tail. For some metabolites, such as alanine and arginine, no significant difference was observed among the three parts of ASR. Conclusion Both the primary and secondary metabolites of ASR can be detected at the same time by ¹H-NMR based metabolic profiling approach used in this study, and the results revealed in this study laid the foundation for the further investigation of the relationship between the chemical components and biological effects of different parts in ASR.