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Comparative molecular field analysis of tyrosine kinase inhibitors
Alternative TitleChem. J. Chin. Univ.-Chin.
Peng, T; Pei, JF; Zhou, JJ
2003-06-01
Source PublicationCHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
ISSN0251-0790
Volume24Issue:6Pages:1076-1079
AbstractThree-dimensional structure-activity relationships of some tyrosine kinase inhibitors were studied by using CoMFA technique. The model can not only be used to predict the compounds in the training set but also the compounds in the test set. The CoMFA contour plots were used to identify several key features including steric and electrostatic fields, which were valuable for us to get insight into the potential mechanism of the intermolecular interactions between inhibitor and the receptor. Suitable steric and electrostatic effects are required for a higher activity.; Three-dimensional structure-activity relationships of some tyrosine kinase inhibitors were studied by using CoMFA technique. The model can not only be used to predict the compounds in the training set but also the compounds in the test set. The CoMFA contour plots were used to identify several key features including steric and electrostatic fields, which were valuable for us to get insight into the potential mechanism of the intermolecular interactions between inhibitor and the receptor. Suitable steric and electrostatic effects are required for a higher activity.
KeywordTyrosine Kinase Inhibitor Comparative Molecular Field Analysis (Comfa) 3d-qsar
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
URL查看原文
Indexed BySCI
Language英语
WOS KeywordGROWTH-FACTOR RECEPTOR ; SITE INHIBITORS ; POTENT ; DESIGN ; ANALOGS ; BINDING
WOS Research AreaChemistry
WOS SubjectChemistry, Multidisciplinary
WOS IDWOS:000183863200034
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Version出版稿
Identifierhttp://ir.ipe.ac.cn/handle/122111/5272
Collection研究所(批量导入)
AffiliationChinese Acad Sci, Inst Proc Engn, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Peng, T,Pei, JF,Zhou, JJ. Comparative molecular field analysis of tyrosine kinase inhibitors[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2003,24(6):1076-1079.
APA Peng, T,Pei, JF,&Zhou, JJ.(2003).Comparative molecular field analysis of tyrosine kinase inhibitors.CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,24(6),1076-1079.
MLA Peng, T,et al."Comparative molecular field analysis of tyrosine kinase inhibitors".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 24.6(2003):1076-1079.
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