中药现代化应是在继承传统理论和经验的基础上，利用现代科学技术，加以研究、提高和发展。随着药效团虚拟筛选技术在计算机辅助药物设计方面应用的日趋成熟，该技术在中药现代化研究中的应用已成为可能。从中药“药效团药性假说”出发，分析“药效团”的科学内涵，提出适用于中药现代化研究的“药效基团-功效假说”。

Based on the inheritance of traditional theories and experience, modern science and technology was used for research, improvement, and development of the modernization of traditional Chinese medicine. With the increasing maturity of pharmacophore virtual screening technology in computer-aided drug design, it has become possible to apply this technology in the modernization of traditional Chinese medicine. This article starts from the “pharmacophore hypothesis” of traditional Chinese medicine, analyzes the scientific connotation of “pharmacophore”, and proposes a “pharmacophore-efficacy hypothesis” suitable for modernization research of traditional Chinese medicine.

R285

国家自然科学基金重大项目（81891014）