Computational pharmacological studies on cardiovascular disease by Qishen Yiqi Diwan | |
Gu JiangYong1; Yuan Gu1; Zhu YongHong2; Xu XiaoJie1 | |
刊名 | SCIENCE IN CHINA SERIES B-CHEMISTRY |
2009-11-01 | |
卷号 | 52期号:11页码:1871-1878 |
关键词 | Chemical Space Drug-target Space Molecular Docking Computational Pharmacology |
ISSN号 | 1006-9291 |
DOI | 10.1007/s11426-009-0274-x |
英文摘要 | 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. |
语种 | 英语 |
出版者 | SCIENCE PRESS |
WOS记录号 | WOS:000272032700019 |
内容类型 | 期刊论文 |
源URL | [http://ir.iccas.ac.cn/handle/121111/68637] |
专题 | 中国科学院化学研究所 |
通讯作者 | Xu XiaoJie |
作者单位 | 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 |
推荐引用方式 GB/T 7714 | Gu JiangYong,Yuan Gu,Zhu YongHong,et al. Computational pharmacological studies on cardiovascular disease by Qishen Yiqi Diwan[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,2009,52(11):1871-1878. |
APA | Gu JiangYong,Yuan Gu,Zhu YongHong,&Xu XiaoJie.(2009).Computational pharmacological studies on cardiovascular disease by Qishen Yiqi Diwan.SCIENCE IN CHINA SERIES B-CHEMISTRY,52(11),1871-1878. |
MLA | Gu JiangYong,et al."Computational pharmacological studies on cardiovascular disease by Qishen Yiqi Diwan".SCIENCE IN CHINA SERIES B-CHEMISTRY 52.11(2009):1871-1878. |
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