3D-QSAR CoMFA analysis of C5 substituted pyrrolotriazines as HER2 (ErbB2) inhibitors

被引：17

作者：

Awale, Mahendra

Mohan, C. Gopi

机构：

[1] Centre for Pharmacoinformatics, National Institute of Pharmaceutical Education and Research (NIPER), S.A.S. Nagar, 160 062 Punjab

来源：

JOURNAL OF MOLECULAR GRAPHICS & MODELLING | 2008年 / 26卷 / 07期

关键词：

receptor tyrosine kinase; EGFR; human epidermal growth factor receptor; CoMFA;

D O I：

10.1016/j.jmgm.2007.10.008

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

Human cancers are characterized by an up-regulation of some of the RTKs (EGFR and HER2) and have been clinically validated as targets for cancer therapy. C4 and C5 substituted pyrrolotriazines showed dual inhibition of HER2 and EGFR protein tyrosine kinases. To explore the relationship between the structures of the aforementioned classes of molecules and their HER2 inhibition, 3D-QSAR CoMFA analysis have been performed. The developed CoMFA model showed statistically significant results with good predictive ability. (c) 2007 Elsevier Inc. All rights reserved.

引用

页码：1169 / 1178

页数：10

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