Vaccine Design from the Microtubules Role in Coronavirus Entry and Exit: A Molecular Dynamic and Docking Simulation

Abstract

The accurate assembling of microtubules identifies microtubular filaments for a coronavirus that directs the site of viral. By this work, we are able to design a peptide-based multi-epitope vaccine from the surface glycoprotein inside the microtubules via molecular dynamic and docking simulation. Therefore, cell-mediated immunity can be killing the viral particles of the coronavirus. Predicted epitopes were merged using appropriate linkers to increase the immunogenicity of the vaccine. A wide range of bioinformatics analyses was accomplished based on published biological protein sequences in this study. Using molecular docking technology of Discovery-Studio 201673, the receptor-ligand docking of viral proteins with human heme (or porphyrins) was simulated.