Non-target metabolomics unravels the effect and mechanism of Lianpu Drink on spleen-stomach damp-heat syndrome

IF 2.8 3区医学 Q2 BIOCHEMICAL RESEARCH METHODS Journal of Chromatography B Pub Date : 2024-08-25 DOI:10.1016/j.jchromb.2024.124281

Jingbo Yu , Henan Liu , Jiarong Xiong , Shanhe Qu , Xin Xie , Hongqing Zhao , Zhengqing Zhu , Yuhong Wang , Yue Han

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Abstract

Background

Lianpu Drink (LPY) is a classic prescription for treating spleen-stomach damp-heat syndrome (SSDHS), known for its ability to clear heat and eliminate dampness. However, the underlying mechanisms of LPY in treating SSDHS remain unclear.

Objectives

This study aims to use non-target metabolomics to unravel the effects and mechanisms of LPY on SSDHS.

Methods

A metabolomics technique based on ultra-high-performance liquid chromatography-tandem quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS) was used to identify the endogenous small-molecule metabolites in the urine of SSDHS model rats and find the metabolites associated with the LPY treatment of SSDHS. Furthermore, a network pharmacological analysis and molecular docking experiments were used to screen and validate the key metabolic pathways regulated by LPY.

Results

LPY exerted therapeutic effects on SSDHS by increasing the levels of motilin and gastrin, reducing the rectal temperature, alleviating the pathological changes in gastric and colonic tissues, and regulating the metabolic pattern in SSDHS rats. A total of 25 different metabolites, including L-histidine, citric acid and isocitric acid, were identified as the potential biomarkers for SSDHS via metabolomics. Among them, 11 metabolites were substantially reversed by LPY, including L-histidine, citric acid, isocitric acid, pantothenic acid, homovanillic acid sulfate, hippuric acid, indole-3-carboxilic acid-O-sulphate, 6-hydroxy-5-methoxyindole glucuronide, 2-phenylethan-ol glucuronide, 3-hydroxydodecanedioic acid and 3-methoxy-4-hydroxy-phenylethyleneglyclol sulfate. The results of network pharmacological analysis and molecular docking experiments validated that LPY ameliorated SSDHS by regulating the citrate cycle and histidine metabolism.

Conclusion

We preliminarily investigated the effects and mechanisms of LPY on SSDHS at the level of endogenous small-molecule metabolites. Furthermore, this study provides a novel perspective for objectively evaluating the therapeutic effects, and exploring the mechanisms of Chinese medicinal formulas on SSDHS.

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非靶代谢组学揭示连朴饮对脾胃湿热证的作用及机制

背景连朴饮（LPY）是治疗脾胃湿热证（SSDHS）的经典方剂，具有清热利湿的功效。方法采用超高效液相色谱-串联四极杆飞行时间质谱（UPLC-Q-TOF/MS）代谢组学技术鉴定脾胃湿热证模型大鼠尿液中的内源性小分子代谢物，并寻找与连朴饮治疗脾胃湿热证相关的代谢物。结果LPY通过提高动情素和胃泌素的水平、降低直肠温度、减轻胃和结肠组织的病理变化以及调节SSDHS大鼠的代谢模式，对SSDHS发挥了治疗作用。通过代谢组学，共鉴定出25种不同的代谢物，包括L-组氨酸、柠檬酸和异柠檬酸，作为SSDHS的潜在生物标志物。其中，有11种代谢物被LPY大幅逆转，包括L-组氨酸、柠檬酸、异柠檬酸、泛酸、硫酸高香草酸、马尿酸、吲哚-3-羧基嘧啶和吲哚-3-羧基嘧啶、吲哚-3-羧酸-O-硫酸盐、6-羟基-5-甲氧基吲哚葡萄糖醛酸苷、2-苯乙醇葡萄糖醛酸苷、3-羟基十二碳二酸和 3-甲氧基-4-羟基苯乙二醇硫酸盐。网络药理学分析和分子对接实验结果验证了 LPY 可通过调节柠檬酸循环和组氨酸代谢来改善 SSDHS。此外，本研究还为客观评价中药方剂对 SSDHS 的疗效和机制提供了一个新的视角。

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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.