Uncovering the antidepressant active ingredients and related molecular mechanisms of Xiaoyao Pill using integrated pharmacological strategy

IF 2.8 3区医学 Q2 BIOCHEMICAL RESEARCH METHODS

Journal of Chromatography B Pub Date : 2025-02-07 DOI:10.1016/j.jchromb.2025.124502

Siqian Zhou , Yajing Wang , Mingxia Xie , Jing Li , Pan Meng , Juan Wu , Lin Jiang , Hongping Long

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引用次数: 0

Abstract

Purpose

To investigate antidepressant active ingredients of XYP (Xiaoyao Pill), while predicting its primary pharmacodynamic material basis and underlying mechanisms of action.

Methods

UPLC-Q-TOF-MS/MS was used to identify the active ingredients of XYP. In addition, based on the analysis of components, network pharmacology and molecular docking were used to investigate potential therapeutic targets and possible signaling pathways of XYP in the treatment of depression.

Results

A total of 102 chemical components, 10 prototype components and 16 metabolites absorbed in the brain were identified in XYP. Network pharmacology analysis showed that these compounds shared 420 common targets with depression, TP53, EGFR, PTGS2, ESR1, PPARG and other 68 targets were considered as core targets, mainly enriched in PI3K-Akt and MAPK signaling pathways. GO analysis unveiled associated apoptosis and inflammatory response. Molecular docking revealed that paeoniflorin, liquiritin, and atractylenolide III were found to have the highest binding energy to TP53, ESR1 and PPARG.

Conclusion

These findings suggested that XYP may exert antidepressant effects through atractylenolide III, paeoniflorin, saikosaponin D, liquiritin, formononetin, affecting the PIK3/AKT signaling pathway. This lays the foundation for the research on the quality standards and clinical rational application of traditional Chinese medicine formulas.

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来源期刊

Journal of Chromatography B 医学-分析化学

CiteScore

5.60

自引率

3.30%

发文量

306

审稿时长

44 days

期刊介绍： The Journal of Chromatography B publishes papers on developments in separation science relevant to biology and biomedical research including both fundamental advances and applications. Analytical techniques which may be considered include the various facets of chromatography, electrophoresis and related methods, affinity and immunoaffinity-based methodologies, hyphenated and other multi-dimensional techniques, and microanalytical approaches. The journal also considers articles reporting developments in sample preparation, detection techniques including mass spectrometry, and data handling and analysis. Developments related to preparative separations for the isolation and purification of components of biological systems may be published, including chromatographic and electrophoretic methods, affinity separations, field flow fractionation and other preparative approaches. Applications to the analysis of biological systems and samples will be considered when the analytical science contains a significant element of novelty, e.g. a new approach to the separation of a compound, novel combination of analytical techniques, or significantly improved analytical performance.