Computational pharmacological studies on cardiovascular disease by Qishen Yiqi Diwan

被引：18

作者：

Gu JiangYong ^{[1
]}

Yuan Gu ^{[1
]}

Zhu YongHong ^{[2
]}

Xu XiaoJie ^{[1
]}

机构：

[1] Peking Univ, Coll Chem & Mol Engn, State Key Lab Rare Earth Mat Chem & Applicat, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China

[2] Acad Tasly Pharmaceut Co LTD, Tianjin 300410, Peoples R China

来源：

SCIENCE IN CHINA SERIES B-CHEMISTRY | 2009年 / 52卷 / 11期

关键词：

chemical space; drug-target space; molecular docking; computational pharmacology; C-REACTIVE PROTEIN; INHIBITORY-ACTIVITY; NADPH OXIDASES; FLAVONOIDS; CONSTITUENTS; DERIVATIVES; GLYCOSIDES; LUTEOLIN; CELLS;

D O I：

10.1007/s11426-009-0274-x

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Computational pharmacological methods were used to study the distribution of 1729 compounds contained in a Chinese medicine, Qishen Yiqi Diwan, in chemical space. The results show that most of these compounds have good drug-like properties. Molecular docking was used to study the interactions between 1729 compounds of Qishen Yiqi Diwan and 26 drug targets related to cardiovascular disease and the distribution of 1729 compounds in drug-target space. The results may shed light on the action mechanism and the search for the active compounds in Qishen Yiqi Diwan.

引用

页码：1871 / 1878

页数：8

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