Literature DB >> 18055238

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

Mahendra Awale1, C Gopi Mohan.   

Abstract

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.

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Year:  2007        PMID: 18055238     DOI: 10.1016/j.jmgm.2007.10.008

Source DB:  PubMed          Journal:  J Mol Graph Model        ISSN: 1093-3263            Impact factor:   2.518


  2 in total

1.  Ligand-based molecular design of 4-benzylpiperidinealkylureas and amides as CCR3 antagonists.

Authors:  Vaibhav Jain; Ashish Pandey; Shikhar Gupta; C Gopi Mohan
Journal:  J Mol Model       Date:  2009-12-04       Impact factor: 1.810

2.  Comparative molecular field analysis and comparative molecular similarity indices analysis of hydroxyethylamine derivatives as selective human BACE-1 inhibitor.

Authors:  Ashish Pandey; Jignesh Mungalpara; C Gopi Mohan
Journal:  Mol Divers       Date:  2009-03-28       Impact factor: 2.943

  2 in total

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