Molecular docking and interactions between vascular endothelial growth factor (VEGF) receptors and phytochemicals: An in-silico study

Vascular endothelial growth factor (VEGF) is a mitogen, which plays a vital role in angiogenesis and neovascularization. Numerous medications have been developed to inhibit VEGF in cancer, because of its significance in tumor development and its survival. Hence, the current study is focused on identifying phytocompounds to directly target VEGF receptors using in-silico approach. In this study, a computational approach has been applied to elucidate the role of the phytocompounds in inhibition of angiogenesis through modulation of VEGF receptors responsible for angiogenesis. Molecular docking analysis was performed using AutoDock 4.2 software. In addition, the in silico ADMET analysis was carried out to predict the pharmacokinetic properties. Among the 50 phytocompounds tested, 6 compounds (Eriodyctiol, Epicatechin, Scutellarin, Ginkgolide A, Tetrandrine and Bassic acid) showed a better interaction profile than standard drug (Triamcinolone). Our study suggests a potential therapeutic effect of these phytocompounds for inhibiting angiogenesis, thereby providing inkling for novel drug design for proangiogenic diseases such as DR. •In silico analysis was performed to explore the therapeutic potentials of various phytocompounds.•The phytocompounds have potential to firmly bind with VEGF and retard its development•The bioactive constituents are known to be involved in the antiangiogenesis process.