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|Title:||Exploring structure indenture of some aminopyrazolopyridine ureas as potent VEGFR/PDGFR multitargeted kinase inhibitors: A QSAR approach|
|Authors:||Vyas, Vivek K|
|Keywords:||QSAR;Angiogenesis;VEGFR;KDR inhibitor;Aminopyrazolopyridine ureas|
|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.|
|Appears in Collections:||IJC-B Vol.50B(06) [June 2011]|
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