What are the Roles of Pueraria Tuberosa in Angiogenesis

Pueraria tuberosa is known for its therapeutic potentials in cardiovascular disorders but its effect in angiogenesis not been studied so far. In this study, a computational approach has been applied to elucidate the role of the phytochemicals in inhibition of angiogenesis through modulation of Vascular Endothelial Growth Factor Receptors: VEGFR1 VEGFR2, major factors responsible for angiogenesis. Metabolite structures retrieved from PubChem and KNApSAcK – 3D databases, were docked using AutoDock4.2 tool. Hydrogen bond and Molecular, ADME and toxicity predictions were carried out using UCSF Chimera, LigPlot+ and PreADMET server respectively. From the docking analysis, it was observed that Puerarone and Tuberostan had significant binding affinity for the intracellular kinase domain of VEGFR1 and VEGFR2 respectively. It is important to mention that both the phytochemicals shared similar interaction profile as that of standard inhibitors of VEGFRs. Besides this, both Puerarone an d Tuberostan interacted with Lys861/ Lys868 (ATP binding site of VEGFR1/VEGFR2), thus providing a clue that they may enforce their inhibitory effect by blocking the ATP binding domain of VEGFRs. Moreover, these molecules exhibited good drug-likeness, ADME properties without any carcinogenic and toxic effects. The interaction pattern of the Puerarone and Tuberostan may provide a hint for a novel drug design for VEGF tyrosine kinase receptors with better specificity for the treatment of Angiogenic