Comparative Modeling and Molecular Interaction Study for the Management of AMD and CRVO Ocular Disorder

Abstract

Age Related Macular Degeneration (AMD) and Central Retinal Vein Occlusion (CRVO) are the rare and leading cause of blindness among patients with ocular problem. Many proteins are reported in the progression of these ocular disorders. Proteins which are directly involved in the development of this disorder reported in the literature, their sequence related information retrieved from biological databases. In silico technique was implemented in order to characterize the properties and structures of the proteins using ProtParam. For studying about the potential phosphorylation sites in protein generally NetPhos server was used whereas for denoting the location of signal peptide cleavage sites and their presence the server which is used is SingalP server. For prediction of secondary structure prediction of proteins is done by using SOPMA. The SOSUI server performs the identification of trans-membrane regions. The 3D dimensional structure was modeled using Swiss Model Workspace and Modeller. Ramachandran plot was used to validate the stereochemical properties of the predicted structures because it is a very important step after 3D structure prediction. Docking of screened phytochemicals with selected proteins was performed by AutoDock. Docking study revealed that Curcumin (binding energy: -8.35) and Berberine (binding energy: -7.14) can be used as better therapeutic lead molecule for the cure of CRVO and AMD respectively.