Integrated and global pseudotargeted metabolomics strategy applied to screening for quality control markers of Citrus TCMs

Yisong Shu, Zhenli Liu, Siyu Zhao, Zhiqian Song, Dan He, Menglei Wang, Honglian Zeng, Cheng Lu, Aiping LYU, Yuanyan Liu*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

22 Citations (Scopus)

Abstract

Traditional Chinese medicine (TCM) exerts its therapeutic effect in a holistic fashion with the synergistic function of multiple characteristic constituents. The holism philosophy of TCM is coincident with global and systematic theories of metabolomics. The proposed pseudotargeted metabolomics methodologies were employed for the establishment of reliable quality control markers for use in the screening strategy of TCMs. Pseudotargeted metabolomics integrates the advantages of both targeted and untargeted methods. In the present study, targeted metabolomics equipped with the gold standard RRLC-QqQ-MS method was employed for in vivo quantitative plasma pharmacochemistry study of characteristic prototypic constituents. Meanwhile, untargeted metabolomics using UHPLC-QE Orbitrap HRMS with better specificity and selectivity was employed for identification of untargeted metabolites in the complex plasma matrix. In all, 32 prototypic metabolites were quantitatively determined, and 66 biotransformed metabolites were convincingly identified after being orally administered with standard extracts of four labeled Citrus TCMs. The global absorption and metabolism process of complex TCMs was depicted in a systematic manner.

Original languageEnglish
Pages (from-to)4849-4865
Number of pages17
JournalAnalytical and Bioanalytical Chemistry
Volume409
Issue number20
DOIs
Publication statusPublished - 1 Aug 2017

Scopus Subject Areas

  • Analytical Chemistry
  • Biochemistry

User-Defined Keywords

  • Citrus TCMs
  • Drug metabolism
  • Metabolites identification
  • Pseudotargeted metabolomics
  • QC-markers

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