药物配伍是中医遣方用药的主要形式，中药复方是药物配伍的进一步延伸，要科学阐明中药复方疗效、优化复方配伍，单纯针对中药复方化学成分的研究不足以讲清复方配伍规律及其基本药效与作用机制。中药复方作为一个整体，应通过复方作用于机体和机体所处的整体反应来判定其疗效，进而优化复方配伍。代谢组学通过分析机体相关代谢簇和代谢网络的时序变化，阐明药味及复方的疗效，进而解析复方配伍规律。单味药是配伍的基础，药对是配伍最基本的形式，方剂是复方临床应用的最主要形式。综述了近年来代谢组学在“四气五味”“七情合和”和“君臣佐使”配伍理论中的应用研究，从性味、药对、复方等不同层次对中药复方配伍进行系统性评价，分析中药复方配伍规律，有助于指导中药复方临床用药以及新复方的研制。

Drug compatibility is the main form of dispatching prescription in traditional Chinese medicine (TCM), and TCM formula is the further extension of drug compatibility. In order to scientifically clarify the efficacy and optimize the drug compatibility, investigations on chemical components of TCM formula alone are not enough to explain the compatibility law, efficacy and mechanism of action of TCM formula. As a whole, TCM formula should be used to determine the synergistic effects by acting on the body and the body's overall response, so as to optimize the compatibility of TCM formula. Metabolomics could clarify the drug flavors, activities and compatibility laws of TCM formula by analyzing the time-series changes of related metabolic clusters and network of the body. Single TCM is the basis of compatibility, and drug pair is the most basic form of compatibility, and prescription is the most important form of clinical application. Application of metabolomics in the compatibility theories of "four natures and five flavors", "seven ways of compatibility" and "king, minister, assistant and guide" were reviewed in this paper, and compatibility of TCM formula was systematically evaluated from different levels, such as drug flavors, drug pairs and TCM formula, and compatibility law of TCM formulae was analyzed, in order to guide the clinical application of TCM formulae and development of new TCM formulae.

R283.21

国家重点研发计划项目（2019YFC1711000）；国家自然科学基金资助项目（82004215）；上海市卫生健康委员会卫生行业临床研究专项（20204Y0326）