Abstract
This study proposed a new strategy for uncovering the active chemical constituents of a traditional Chinese medicines (TCMs) formula, Chaihu-Shu-Gan-San (CSGS). Metabonomics and chemical profile were integrated in combination with the multivariate statistical analysis (MVA) to discover the chemical constituents which contribute to the antidepressant effect of CSGS. Based upon the difference between CSGS and QZ (CSGS without Zhi-Qiao) extracts in the chemical profiles and the regulations of metabolic disturbances induced by CUMS, synephrine, naringin, hesperidin, and neohesperidin were recognized as the active constituents of CSGS from Zhi-qiao responsible for those missing regulations of CSGS when Zhi-Qiao was subtracted from the whole formula. They participated in the regulations of the deviated metabolites 2–4, 10–14, and 22–25, involved in metabolic pathways of ketone bodies synthesis, phenylalanine, tyrosine and tryptophan biosynthesis, valine, aspartate, glutamate metabolism, and glycolysis/gluconeogenesis. Furthermore, the assay of MAO-A activity confirmed the potential antidepressant effect of naringin and its active sites on the MAO-A was inferred by molecular docking study. The integration of metabonomics and chemical profile was proved to be a useful strategy for uncovering what the active chemical constituents in TCM formula are and how they make contributions for the efficacy of the formula.
Highlights
Traditional Chinese medicines (TCMs) have been widely used in many oriental countries for thousands of years [1] and received widespread acceptance and attention due to their reliable therapeutic efficacy with low side effects [2]
This paper integrated metabonomics and chemical profile in combination with the multivariate statistical analysis (MVA) to discover the chemical constituents which contribute to the efficacy of CSGS
Through the difference between CSGS and QZ extracts in chemical profiles and the regulations of metabolic perturbations induced by chronic unpredicted mild stress (CUMS), four compounds were identified as the active constituents of CSGS contributed by Zhi-Qiao
Summary
Traditional Chinese medicines (TCMs) have been widely used in many oriental countries for thousands of years [1] and received widespread acceptance and attention due to their reliable therapeutic efficacy with low side effects [2]. Novel approaches are in great demand to provide deeper insight into the correlation of chemical constituents with efficacy of herbal formula. Chromatographic fingerprinting has been internationally accepted as an efficient technique for direct identification of multicomponents and quality control of TCMs [3]. Due to the wide suitability, high sensitivity, and sufficient structural information, liquid chromatography coupled with electrospray ionization tandem mass spectrometry (LC-ESI-MSn) has become more and more popular for investigation of herbal medicines [4]. On-line qualitative and quantitative analysis of chemical constituents in TCM formulas
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