Abstract
C-phycocyanin (C-PC) produced from cyanobacterial species finds application in drug development. Therefore, it is of interest to document the molecular binding features of C-PC with the vascular endothelial growth factor receptor 2 (VEGFR2). C-PC showed H-bond interactions with residues on both sides of the Deusche Forschugsgemein-Schalt (DFG) loop (Asp1046-Phe1047-Gly1048). A hydrophobic association between the activation loop and the DFG residue (Gly1048) helps to inhibit the activity of VEGFR2 kinases. Thus, C-PC is reported as a potential angiogenesis inhibitor for VEGFR2 in combating cancer.
Highlights
C-Phycocyanin (C-PC) is a light yielding protein pigment produced from Cyanobacterial species
Earlier we showed that C-PC acts as a Cyclooxygenase -2 (COX-2) inhibitor and COX-2 inhibitors are potent angiogenesis inhibitor [12, 13]
Molecular docking: Considering the vascular endothelial growth factor receptor 2 (VEGFR2) as valid target for docking studies revealed that C-PC was binding accurately by forming the wellestablished hydrogen bonds with the active site residues
Summary
C-Phycocyanin (C-PC) is a light yielding protein pigment produced from Cyanobacterial species. VEGFR2, expressed mostly in endothelial neovascular tumor cells, is generally identified in endothelial vascular cells by a gene encoding the kinase insert domain receptor (KDR) [10]. The availability of data on molecular docking studies, dynamics simulations and bioinformatics tools has provided ample scope for identifying novel inhibitors against human VEGFR2, the molecular target of the Swiss army knife in lung cancer [11]. It is of interest to document the molecular binding features of C-PC with the vascular endothelial growth factor receptor 2 (VEGFR2). The parameters of Auto Dock functions such as di-electric set and distance dependent were used in the computation of electrostatic and Vander Waals respectively. The binding orientations of C-PC with VEGFR2 were predicted through Molecular Dynamics (MD) simulations
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