中药制剂具有多成分、多靶点、多环节整体作用的特点,使得其制备工艺优化及质量标准体系构建困难,正确辨识中药制剂中与功效密切相关的主要活性成分群并以此构建中药制剂工艺、质量评价体系成为中药制剂工艺设计与质量控制亟待解决的关键科学问题。较为全面地分析了谱-效相关、中药药动学、血清药物化学和血清药理学、整合效应关联性分析、计算机虚拟筛选以及敲入/敲除对比分析等研究方法的可行性,以期为中药制剂工艺与质量评价基于标志性活性成分群的辨识思路提供借鉴。

The preparation of Chinese materia medica (CMM) possesses the characteristic of holistic function involving multi-component, multi-target, and multi-link. This characters make it difficult to optimize the preparation process and construct the quality standards of CMM. Thus process building and quality evaluation system based on correctly identifying the components that closely related to the efficacy is a key scientific issue in the preparation process design and quality control of CMM. In this paper, a more comprehensive analysis on the feasibility of different research methods was carried out, including the spectral-efficiency relationships, pharmacokinetics, serum medicinal chemistry and serum pharmacology of drugs, the effect of integration effect correlation analysis, virtual screening, and comparative analysis of knock-in/knock-out. The purpose of this article is to provide the reference for identifying the bioactive marker group which is used for the CMM preparation process and quality evaluation.

国家自然科学基金资助项目(81273655);江苏省“333高层次人才培养过程”资助项目(BRA2013201);江苏高校优势学科建设工程资助项目;江苏省“青蓝工程”创新团队支持计划资助