中药是当今新药研发的重要来源之一。现代科学技术的迅猛发展为中药研究带来了新的机遇，同时也促进了中药理论的不断创新。建立既符合中药特点又适应现代药物研发的理论和技术是中药药效物质研究迫切需要解决的问题。本文结合笔者课题组近5 年的研究实例，介绍了中药活性成分发现的关键技术，包括化合物库制备-活性评价-结构鉴定一体化技术、生物垂钓和化学垂钓技术、基于配体和受体的虚拟筛选技术、中药谱效关联发现技术、等效成分群发现技术等，以期为中药药效物质研究提供一定的参考，进而加快中药现代化进程。

Traditional Chinese medicines(TCM)is one of the most important sources of new drugs.The rapid development of modern science and technology has brought new opportunities for TCM.Admittedly,new academic theory is getting into a golden period of innovation.Key technologies that enbody TCM features and adapt to modern drug-screening requirements are urgently needed.After five years’endeavor,the authors’group has made great progress in the new theories and methodologies for the discovery of bioactive compounds from TCM.In this review,a total of five key technologies:library-bioactivity-structure integration,biological and chemical fishing technology,ligand-and receptor-based virtual screening,profile-bioactivity relationship and the technology for discovering bioactive equivalent combinatorial components(BECCs),were introduced.In the text,several valuable demonstrations over the TCM-based drug discovery were provided,for uncovering the scientific basis of TCM and accelerating the process of TCM modernization.

国家自然科学基金委创新研究群体项目（81421005）：中药活性成分群发现与作用机理，负责人：李萍。