Study on Cold and Hot Properties of Chinese Materia Medica Using Liquid Chromatography-Mass Spectrometry-Based Metabolomics Combined With Network Pharmacology Analysis

IF 1.8 4区医学 Q4 BIOCHEMICAL RESEARCH METHODS

Biomedical Chromatography Pub Date : 2025-03-31 DOI:10.1002/bmc.70070

Jingxuan Yang, Yi Wu, Wei Wei, Wenjun Guo, Meng Li, Jiangwei Jia, Yajuan Xu, Yang Wang

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Abstract

The cold/hot properties of Chinese materia medica (CMM) are the core theory of traditional Chinese medicine (TCM). This study aims to investigate the cold/hot properties of CMM and find the possible mechanisms related to CMM properties using liquid chromatography-mass spectrometry (LC-MS)-based metabolomics combined with network pharmacology analysis. Typical cold and hot CMMs were given to mice by intragastric administration. The metabolomics analyses showed that cold/hot CMMs induced metabolome changes by modulating arginine and proline metabolism, tricarboxylic acid cycle, fatty acid metabolism, etc. The joint analysis of metabolomics and network pharmacology suggested that cold and hot CMMs could modulate the expression of IL-6, IL-1β, TNF, and CASPS and influence metabolic changes, thereby exhibiting their cold/hot properties. The validation study showed that the serum levels of IL-6 and IL-1β were regulated by CMM administration. Molecular docking analysis suggested that the active compound of CMM had good binding energy with target proteins. This study conducted a primary investigation to explore the CMM property from the perspective of metabolomics, which is expected to provide some research data related to the body metabolism for the scientific connotation of the cold/hot properties of CMM.

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中药的寒热温凉属性是中医的核心理论。本研究旨在利用基于液相色谱-质谱联用技术的代谢组学，结合网络药理学分析，研究中药的寒热性，并寻找与中药寒热性相关的可能机制。小鼠经胃内给药获得了典型的冷热CMM。代谢组学分析表明，冷/热CMM通过调节精氨酸和脯氨酸代谢、三羧酸循环、脂肪酸代谢等诱导代谢组变化。代谢组学和网络药理学的联合分析表明，冷热CMM可调节IL-6、IL-1β、TNF和CASPS的表达，影响代谢变化，从而显示出其冷热特性。验证研究表明，服用CMM可调节血清中IL-6和IL-1β的水平。分子对接分析表明，CMM的活性化合物与靶蛋白具有良好的结合能。本研究从代谢组学的角度对CMM的特性进行了初步探索，有望为CMM冷热特性的科学内涵提供一些与机体代谢相关的研究数据。

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来源期刊

Biomedical Chromatography 生物-分析化学

CiteScore

3.60

自引率

5.60%

发文量

268

审稿时长

2.3 months

期刊介绍： Biomedical Chromatography is devoted to the publication of original papers on the applications of chromatography and allied techniques in the biological and medical sciences. Research papers and review articles cover the methods and techniques relevant to the separation, identification and determination of substances in biochemistry, biotechnology, molecular biology, cell biology, clinical chemistry, pharmacology and related disciplines. These include the analysis of body fluids, cells and tissues, purification of biologically important compounds, pharmaco-kinetics and sequencing methods using HPLC, GC, HPLC-MS, TLC, paper chromatography, affinity chromatography, gel filtration, electrophoresis and related techniques.