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3D-QSAR CoMFA Analysis of C5 Substituted Pyrrolotriazines as HER2 (ErbB2) Inhibitors

Publication Type : Journal Article

Thematic Areas : Nanosciences and Molecular Medicine

Publisher : Journal of Molecular Graphics and Modelling

Source : Journal of Molecular Graphics and Modelling, Volume 26, Number 7, p.1169 - 1178 (2008)

Url : http://www.sciencedirect.com/science/article/pii/S1093326307001581

Keywords : CoMFA, EGFR, Human epidermal growth factor receptor, Receptor tyrosine kinase

Campus : Kochi

School : Center for Nanosciences

Center : Amrita Center for Nanosciences and Molecular Medicine Move, Nanosciences

Department : Nanosciences and Molecular Medicine

Year : 2008

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.

Cite this Research Publication : M. Awale and Dr. Gopi Mohan C., “3D-QSAR CoMFA Analysis of C5 Substituted Pyrrolotriazines as HER2 (ErbB2) Inhibitors”, Journal of Molecular Graphics and Modelling, vol. 26, pp. 1169 - 1178, 2008.

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