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Pharmacophore analysis of epidermal growth factor receptor tyrosine kinase inhibitors
Alternative TitleActa Chim. Sin.
Peng, T; Pei, JF; Zhou, JJ
2003-03-01
Source PublicationACTA CHIMICA SINICA
ISSN0567-7351
Volume61Issue:3Pages:430-434
AbstractA three-dimensional pharmacophore of epidermal growth factor receptor tyrosine kinase inhibitors was obtained based upon 3D-QSAR of a series of these inhibitors. The result was accordant with the pharmacophore model given by the scientists at Novartis. The pharmacophore included a hydrogen bond receptor, a hydrogen bond donor, a hydrophobic area and a phenyl ring with a chlorine or a bromine atom. This pharmacophore is very useful for clarifying the structure-activity relationships of EGFR tyrosine kinase inhibitors. Some lead compounds may be acquired through dime-dimensional database searching.; A three-dimensional pharmacophore of epidermal growth factor receptor tyrosine kinase inhibitors was obtained based upon 3D-QSAR of a series of these inhibitors. The result was accordant with the pharmacophore model given by the scientists at Novartis. The pharmacophore included a hydrogen bond receptor, a hydrogen bond donor, a hydrophobic area and a phenyl ring with a chlorine or a bromine atom. This pharmacophore is very useful for clarifying the structure-activity relationships of EGFR tyrosine kinase inhibitors. Some lead compounds may be acquired through dime-dimensional database searching.
KeywordPharmacophore Egfr Tyrosine Kinase Inhibitor Active Site
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
URL查看原文
Indexed BySCI
Language英语
WOS KeywordDESIGN ; MODEL ; POTENT
WOS Research AreaChemistry
WOS SubjectChemistry, Multidisciplinary
WOS IDWOS:000182279800025
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/122111/5322
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. Pharmacophore analysis of epidermal growth factor receptor tyrosine kinase inhibitors[J]. ACTA CHIMICA SINICA,2003,61(3):430-434.
APA Peng, T,Pei, JF,&Zhou, JJ.(2003).Pharmacophore analysis of epidermal growth factor receptor tyrosine kinase inhibitors.ACTA CHIMICA SINICA,61(3),430-434.
MLA Peng, T,et al."Pharmacophore analysis of epidermal growth factor receptor tyrosine kinase inhibitors".ACTA CHIMICA SINICA 61.3(2003):430-434.
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