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Research Journals >
Indian Journal of Chemistry -Section B (IJC-B) >
IJC-B Vol.50B [2011] >
IJC-B Vol.50B(06) [June 2011] >
| Title: | Exploring structure indenture of some aminopyrazolopyridine ureas as potent VEGFR/PDGFR multitargeted kinase inhibitors: A QSAR approach |
| Authors: | Vyas, Vivek K
Joshi, Garvita
Namdeo, Basant
Gupta, Arpit |
| Keywords: | QSAR
Angiogenesis
VEGFR
KDR inhibitor
Aminopyrazolopyridine ureas |
| Issue Date: | Jun-2011 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | The feasibility that
inhibition of kinase domain receptor (KDR), vascular endothelial growth factor
receptor (VEGFR) and platelet derived growth factor receptor (PDGFR) kinases is
a promising strategy in anticancer research, which reduces tumor growth by
limiting the formation of new capillaries from existing vasculature In this
work, quantitative structure activity relationship (QSAR) study is reported
employing Hansch analysis, Fujita-ban analysis and molecular modeling study on
a series of 3-aminopyrazolopyridine
ureas with
KDR and other kinase inhibitors. The internal (correlation coefficient r2)
consistency of the QSAR model for Fujita-ban and Hansch analysis is 0.856 and
0.806 respectively. The model has been also tested successfully for internal (q2 >0.88) and external
(predictive r2 > 0.72) validation criteria. Thus, this
validated model brings important structural insight to aid the design of novel
antitumor agents. The studies demonstrate that steric, hydrophobic and
electronic properties play an important role in inhibition of KDR. |
| Page(s): | 858-867 |
| CC License: |  CC Attribution-Noncommercial-No Derivative Works 2.5 India |
| ISSN: | 0975-0983(Online); 0376-4699(Print) |
| Source: | IJC-B Vol.50B(06) [June 2011]
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