A causal relationship discovery-based approach to identifying active components of herbal medicine

被引:30
作者
Cheng, YY [1 ]
Wang, Y [1 ]
Wang, XW [1 ]
机构
[1] Zhejiang Univ, Coll Pharmaceut Sci, Hangzhou 310027, Peoples R China
基金
中国国家自然科学基金;
关键词
herbal medicine; causality discovery; quantitative composition-activity relationship (QCAR); rational design of botanical drug;
D O I
10.1016/j.compbiolchem.2005.11.003
中图分类号
Q [生物科学];
学科分类号
07 [理学]; 0710 [生物学]; 09 [农学];
摘要
Herbal medicine is widely applied for clinical use in East Asia and other countries. However, unclear correlation between its complex chemical composition and bioactivity prevents its application in the West. In the present study, a stepwise causal adjacent relationship discovery algorithm has been developed to study correlation between composition and bioactivity of herbal medicine and identify active components from the complex mixture. This approach was successfully applied in discovering active constituents from mixed extracts of Radix Salviae miltiorrhizae and Cortex Moutan. Moreover, advantage of the present approach compared with bioassay-guided isolation was demonstrated by its application on a typical herbal drug. The current work offers a new way to virtually screen active components of herbal medicine, and it might be helpful to accelerate the process of new drug discovery from natural products. (c) 2005 Elsevier Ltd. All rights reserved.
引用
收藏
页码:148 / 154
页数:7
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