N1-(3-(Trifluoromethyl)Phenyl) Isophthalamide Derivatives as Promising Inhibitors of Vascular Endothelial Growth Factor Receptor: Pharmacophore-Based Design, Docking, and MM-PBSA/MM-GBSA Binding Energy Estimation

Targeting protein kinases is a common approach for cancer treatment. In this study, series of novel terephthalic and isophthalic derivatives were constructed as potential type 2 kinase inhibitors adapting pharmacophore features approved anticancer drugs class. Inhibitory activity designed structures was studied in silico against various cancer-related compared with that known inhibitors. Obtained docking scores, MM-PBSA/MM-GBSA binding energy, RF-Score-VS affinities suggest N1-(3-(trifluoromethyl) phenyl) isophthalamide could be considered promising scaffold the development which are able to target inactive conformation vascular endothelial growth factor receptor.