基于“优势成分预测-潜在靶点筛选”的“2R网络药理学”的中药复方有效组分研究方法的构建

Construction of "2R network pharmacology" research method for effective components of traditional Chinese medicine based on "prediction of dominant components-screening of potential targets"

中药复方是中医临床用药的主要形式。中药复方有效组分的阐明是推进中医药现代化发展的关键科学问题之一。目前,中药复方有效组分的研究思路众多,通过剖析已有研究思路的现状和存在的问题,作者提出基于"优势成分预测-潜在靶点筛选"的"双减网络药理学"(简称"2R网络药理学")研究方法。"优势成分预测"是采用ADMET性质预测技术选择ADMET性质良好的化学成分,与入血成分、靶器官成分对比分析,确定具有潜在治疗作用的优势成分,即"减成分(reducing constituents)";"潜在靶点筛选"是通过转录组测序(RNA-seq)技术结合网络数据库富集中药复方的潜在核心调节通路,再基于信号通路挖掘中药复方的作用靶点,以减少中药复方有效组分作用靶点筛选研究的范围,即"减靶点(reducing targets)"。通过网络药理学方法的相关技术建立"成分-靶点"网络关系,提高有效组分筛选的效率和准确率。旨在为阐明中药复方有效组分、揭示复方配伍规律、明确药物作用靶点等方面提供具有实用性的研究思路和方法。

Chinese traditional medicine compound is the main form of Chinese medicine clinical application. The elucidation of the effective components of traditional Chinese medicine is one of the key scientific issues to promote the modernization of traditional Chinese medicine. At present, there are many research ideas on the effective components of traditional Chinese medicine compounds. By analyzing the current status and existing problems of existing research ideas, the author proposes a "double reduction network pharmacology"(2 R network pharmacology) research method based on "prediction of dominant components-potential target selection". Chemical components with good properties were selected by ADMET property prediction technology, and compared with the blood components and target organ components to determine the dominant components with potential therapeutic effect, that is "reducing constituents";the potential core regulatory pathway of traditional Chinese medicine compound was enriched by RNA-Seq technology combined with network database, and then the target of traditional Chinese medicine compound was mined based on the signal pathway, that is "reducing targets". To improve the efficiency and accuracy of effective component screening, the network relationship of "component target" was established by the related technology of network pharmacology. The purpose of this study is to provide practical research ideas and methods for clarifying the effective components of traditional Chinese medicine, revealing the law of compatibility of traditional Chinese medicine and clarifying the target of drug action.