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Computational pharmacological studies on cardiovascular disease by Qishen Yiqi Diwan
Gu JiangYong1; Yuan Gu1; Zhu YongHong2; Xu XiaoJie1
2009-11-01
Source PublicationSCIENCE IN CHINA SERIES B-CHEMISTRY
ISSN1006-9291
Volume52Issue:11Pages:1871-1878
AbstractComputational 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.
KeywordChemical Space Drug-target Space Molecular Docking Computational Pharmacology
DOI10.1007/s11426-009-0274-x
Indexed BySCI
Language英语
WOS IDWOS:000272032700019
PublisherSCIENCE PRESS
Citation statistics
Cited Times:8[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/68638
Collection中国科学院化学研究所
Corresponding AuthorXu XiaoJie
Affiliation1.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
Recommended Citation
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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