In silico analysis and prevention of coxsackie virus b4 induced insulin dependent diabetes mellitus

Abstract

There has been a multiple evidence of enteroviral infection reported in human which cause various diseases. The work is based on in-silico analysis of coksackie virus induced Insulin Dependent Diabetes Mellitus(IDDM) and the possible interactions between host and viral proteins.The infection of this coxsackie virus strain has been reported to cause IDDM. The exact pathway of the viral-host protein interactions are still unknown. We used IntAct database and found that the viral VP4 protein interacts with the DAF proteins of Human beta cells. The DAF protein is responsible for prevention of compliment attacks in the host cell.The microarray data and the viral-host gene interaction pathways are used to understand the infection progression pathway. Protein-protein docking was used to obtain the locus for the viral protein(VP4) and host protein(DAF) interaction (Etotal value -444.41 EShape value -444.41). The data obtained from protein-protein docking became the basis of this research. The amino acid involved in VP4-DAF interaction was found by analyzing the docked complex, using ArgusLab.The VP4 proteindrug complex failed to bind the beta cell DAF receptor. By using linkage maps we found the evolutionary linkage of coksackie virus B4 strain. This helped in gathering information about possible mutations in viral genome which was useful in designing the drug using Desloratadine and Cannabidiol as a template which could bind to conserved domain of VP4 protein near DAF binding site to prevent VP4-DAF interaction. The drug molecule was converted into pdb format and docked. We selected drug configuration showing best drug-protein complex E value after docking.