Discovery of a novel VEGFR2 inhibitor using integrated structure-based docking study and functional validation: potential applications in targeted cancer therapy.

ABSTRACT: Cancer remains a predominant cause of mortality worldwide, with conventional therapies often limited by adverse side effects and the development of drug resistance. Targeting receptor tyrosine kinases (RTKs), especially vascular endothelial growth factor receptor 2 (VEGFR2), presents a viable strategy due to its pivotal role in tumor angiogenesis. This study employed an integrative approach combining structure-based docking study, kinase inhibition assays, and cytotoxicity evaluations to identify novel VEGFR2 inhibitors. A Protein Kinase Diversity Set library comprising over 2,000 compounds was screened via molecular docking against the VEGFR2 crystal structure. The highest-ranking candidates were subjected to detailed binding interaction analyses. Cytotoxicity assays demonstrated signific

SUBMITTER: Albassam H 

PROVIDER: S-EPMC12932778 | biostudies-literature | 2026 Feb

REPOSITORIES: biostudies-literature