Docking and Inhibition of Antiviral Ligands of Japanese Encephalitis Virus with Capsid Envelope Strain SA-14-14-2(3P54)

Managobinda Rath, Dr. Mahesh Chanrda Sahu, Dr. Susant Kumar Sahu
Abstract: Japanese Encephalitis Virus (JEV) is a flavivirus that threatens more than half of the world?s population. This disease is most prevalent in Southeast Asia and East Asia and mortality is generally much higher in children. Lifelong neurological defects such as deafness, emotional liability and hemiparesis may occur in those who have had central nervous system involvement. Genomic arrangement of the virus shows a single-stranded RNA genome packaged in the capsid which is formed by the capsid protein. The outer envelope is formed by envelope protein and is the protective antigen. It aids in entry of the virus into the cell. The genome also encodes several nonstructural proteins (NS1, NS2a, NS2b, NS3, N4a, NS4b, and NS5). There is no specific antiviral drug is yet available for clinical therapy. The tertiary structure of protein 3P54 was found in Protein data bank(PDB) and the structure was refined by Pymol and inhibitors were found from different literature study. Three Inhibitors of Capsid Envelope protein have been screened by applying Lipinski?s Rule of five then docked against Capsid Envelope protein of JEV. Different Dope score have been recorded for different ligands. However cilnidipine, niclosamide forming hydrogen bond and FGIN-1-27 is not forming hydrogen bond atom during the docking process against the target protein 3P54. Further study on this aspect may help to discover more effective drugs for the treatment of this deadly disease caused by Japanese Encephalitis Virus.
Keywords: Flavivirus ,JEV Envelope Protein , Ligands, Lipinski's Rule of five, Docking, pymol, discovery Sudio4.0, Research Paper, Biomedical Sciences, India
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