To Study the Drug Target in Ebola Virus and Explore Anti-Viral Agent in Silico

Abstract

Ebola virus is a virulent pathogen that causes a highly lethal hemorrhagic fever in human and nonhuman species. It has a lethality rate of around 50-90%. Ebola Virus is a single stranded & negative RNA virus. It is a pathogen that belongs to Filoviridae family of RNA virus. Ebola is considered as a level-4 agent as it requires high range of biohazard containments for analysis and studies. The rapid growth of this virus infection has made the scenario so complicated to control this disease. Ebola virus is unreceptive to many anti-viral drugs or antibiotics also not a valid treatment is yet discovered for this disease caused by this virus. So there is an urgent need to explore the drug targets and discover novel anti-viral agent to fight against the virus. Proteins that used to help in pathogenesis of organism are selected as drug targets. Subsequent researches identified a cell surface receptor called TIM-1 for Ebola and Marburg viruses that typically enhances filovirus infection in many cells. Various function of TIM-1 in pathogenesis made it a potential drug target to control infection. Using bioinformatics based approach potential drug molecules are discovered against the target protein. The objective of the current study to explore a novel anit-viral agent that does act against TIM-1 receptor of Ebola virus using bioinformatics tools. Briefly, 25 inhibitors against TIM-1 protein were selected from literature. Both ligand and protein were optimized using Autodock Vina software. TIM-1 was docked with those selected compounds and stability was estimated on the basis of total binding energy. Deslanoside, Vinorelbine, Digoxin were found to be most suitable agent that inhibit TIM-1. Further, drug likeness and ADMET properties were evaluated by using molinspiration & Pre-ADMET. These compounda can be taken for wet lab testing as anti-Ebola therapy. Insilico docking analysis is done repeatedly to find the most suitable compound.