整合代谢组学和生物信息学策略在解析中药系统复杂性中的应用

中药在化学组成方面的复杂性决定了其作用方式和作用过程的复杂性。传统研究方法缺乏系统性，使得一系列制约中药现代化发展的关键问题一直未能得到很好的解决，包括中药化学物质组表征、中药作用机制、中药方剂配伍规律以及中药毒性机制等中药系统复杂性问题。代谢组学作为一门全新的组学技术，秉承了从机体全局系统出发来考量机体内源性小分子物质与外源性干预物质（如药物）的相互作用的理念，与在中医药理论指导下的中药作用原理思路一致。近年来，人们尝试将整合代谢组学技术和生物信息学策略用于解开上述中药关键问题，并已取得了一定的成果。但其在理论挖掘、策略设计、方法开发和实践拓展诸多方面都有很多具体的工作需要进一步推进。对整合代谢组学和生物信息学策略在解析中药系统复杂性中的应用进行综述。

Applications of Metabonomics Integrated with Bioinformatics Strategy in Analyzing the Systems Complexity of Traditional Chinese Medicines

The chemical complexity of traditional Chinese medicines （TCMs） contributes to their complicated action mode and action process in the treatment of various diseases. The systematicness limitation in the conventional approaches has impeded the further development of TCMs. Several key questions restricting TCMs progression have not been answered yet. They involve chemical profiling, therapeutic mechanism, compatibility principle and systems toxicity of TCMs. As an entirely new technique of omics, metabonomics carried on the conception that originating from the whole system the interaction between small molecule-endogenous substances and exogenous interference substances （such as drugs） is investigated. All these were in agreement with action principle under the direction of TCM theory. Recently, metabolomics combined with the bioinfbrmatics strategy has been applied for the elucidation of the above key questions related to TCMs, and some achievements have been obtained. However, the further improvement and advancement on the knowledge and technology are highly required so that they enable metabolomics strategy to dissect the systems complexity of TCM. The applications of metabonomics integrated with bioinformatics strategy in analyzing the systems complexity of TCMs were reviewed in this paper.