Ontology highlight
ABSTRACT:
SUBMITTER: Sanphanya K
PROVIDER: S-EPMC3942623 | biostudies-literature | 2013 May
REPOSITORIES: biostudies-literature
Sanphanya Kingkan K Wattanapitayakul Suvara K SK Phowichit Suwadee S Fokin Valery V VV Vajragupta Opa O
Bioorganic & medicinal chemistry letters 20130320 10
We report a novel VEGFR-2 inhibitor, developed by the back-to-front approach. Docking experiments indicated that the 3-chloromethylphenylurea motif of the lead compound occupied the back pocket of VEGFR-2 kinase. An attempt was made to enhance the binding affinity of 1 by expanding the structure to access the front pocket using a triazole linker. A library of 1,4-(disubstituted)-1H-1,2,3-triazoles were screened in silico, and one compound (VH02) was identified with an IC50 against VEGFR-2 of 0.5 ...[more]