物理化学学报 >> 2008, Vol. 24 >> Issue (04): 547-551.doi: 10.3866/PKU.WHXB20080401

研究论文 上一篇    下一篇

中药方剂血府逐瘀汤中分子在靶标-配体空间的分布

李旭东; 黄钦; 徐筱杰   

  1. 北京大学化学与分子工程学院, 北京 100871
  • 收稿日期:2007-10-23 修回日期:2007-12-26 发布日期:2008-04-07
  • 通讯作者: 徐筱杰 E-mail:xiaojxu@pku.edu.cn

Target-Ligand Space Distribution of the Compound Sets from Xuefu Zhuyu Decoction, a Traditional ChineseMedicinal Recipe

LI Xu-Dong; HUANG Qin; XU Xiao-Jie   

  1. College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China
  • Received:2007-10-23 Revised:2007-12-26 Published:2008-04-07
  • Contact: XU Xiao-Jie E-mail:xiaojxu@pku.edu.cn

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摘要： 研究了中药方剂血府逐瘀汤(XFZYD)中501个分子在心血管疾病重要的靶酶肾素(renin), 血管紧张素转化酶I(angiotensin-converting enzyme I, ACE I), 3-羟基-3-甲基戊二酰辅酶A还原酶(HMG-CoAR)和P糖蛋白的靶标-配体空间分布.

关键词: 传统中药(TCHs), 血府逐瘀汤, 化学空间, 靶标-配体空间, 药物化学

Abstract: Target-ligand space distributions of the molecules in Xuefu Zhuyu decoction (XFZYD), a traditional Chinese medicinal recipe, on four common cardiovascular target enzymes, which were renin, angiotensin-converting enzyme I (ACE I), 3-hydro-3-methyl glutaryl coenzyme A reductase (HMG-CoAR) and P-glycoproteins (P-gp), were studied.

Key words: Traditional Chinese herbs (TCHs), Xuefu zhuyu decoction, Chemical space, Target-ligand space, Medicinal chemistry