Abstract
The vascular endothelial growth factor receptor‐2 kinases (VEGFR‐2) are attractive targets for the development of anticancer agents. Self‐organizing molecular field analysis (SOMFA) (a simple three‐dimensional quantitative structure‐activity relationship (3D‐QSAR) method) is used to study the structure‐activity correlation of 3‐pyrrole substituted indolin‐2‐ones VEGFR‐2 inhibitors. The statistical results, cross‐validated (0.5267) and non‐cross‐validated r2 (0.5623), show a reliable predictive ability. The contributions of shape and electrostatic fields are 42.7% and 57.3%, respectively. Analysis of SOMFA models through shape and electrostatic grids provide useful information for the design and optimization of new 3‐pyrrole substituted indolin‐2‐one based VEGFR‐2 inhibitors.
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