针对中药体内药效物质研究存在的科学问题，以保元汤为载体，在阐明其化学成分组的基础上，以正常和急性心肌缺血模型大鼠为生物体系，采用多种定性定量分析手段和策略，系统阐明体内代谢产物组及其经时变化规律；以给药后模型大鼠主要药效学指标和受扰动的内源性小分子的经时变化规律，以及靶器官中转录组和蛋白质组的改变为多维效应指标,采用生物信息学进行“化学成分组—体内成分组—内源性代谢物组—转录组/代谢组—药效指标”的多层次“组—效动态关联”分析，阐明保元汤体内潜在药效成分；采用多种手段构建代谢产物库，结合微流控芯片技术及多种体内外模型，对体内药源性成分进行活性验证和作用机制研究；采用网络药理学构建其调控网络。课题研究不仅系统阐明保元汤体内药效物质及作用机理,而且建立一套“组—效动态关联”、“构建代谢产物实体库”、“多种体内外模型药效验证”三步曲的中药体内药效成分系统研究方法体系，具有重要学术价值和应用前景。

Currently, it is a great challenge to map the in vivo chemicalome of TCM with its efficacies owing to the characteristics of dynamics, multi-components, multi-pathways, and multi-targets for TCM. Therefore, in current project, we take Baoyuan decoction (BYD) as a model TCM formula, aiming to propose a practical technique roadmap for revealing the therapeutic material basis and the related action mechanisms by “dynamic composition-activity mapping”. The key procedures of the systematic experimental design include: 1) chemical profiling of BYD using NMR and LC/MSn, and then characterization of the BYD-derived chemicalome and its time-dependent migration course in normal and acute myocardial ischemia rats by combining various qualitative and quantitative platforms and strategies; 2) construction of multi-dimensional efficacy markers by employing the routine pharmacodynamic indicators, change trajectory of those influenced endogenous substances, and variations of proteome and transcriptome in the target organs; 3) mapping composition with activity by integrating chemicalome, BYD-derived metabolome, endogenous metabolome, proteome & transcriptome, and pharmacodynamic indicators using bioinformatic approaches to propose the in vivo efficacy substances of BYD, as well as the time-dependent efficacy trajectory and related mechanisms; 4) preparing metabolites for the metabolite library construction using diverse means, such as direct isolation, large-scale metabolite accumulation using in vitro models, and wet chemistry synthesis, and screening the activities of the metabolites using microfluidic chips and various in vivo and in vitro models; 5) construction of holistic regulating map using network pharmacological platform. In brief, the “dynamic composition-activity mapping” as the core-idea, together with the construction of metabolite library and multi-dimensional activity verification using diverse in vivo and in vitro pharmacological tools, comprise this proposed technique roadmap for clarifying the correlation between the chemical constituents of TCM in vivo and its corresponding efficacies, resulting the clarification of the real in vivo therapeutic material basis of TCM.