1st International and 10th National Iranian Conference on Bioinformatics
Home Accepted Papers
In silico design of a multi-epitope vaccine candidate against SARS-CoV-2
Paper ID : 1303-ICB10
Authors:
Abbas Alibakhshi *1, Armina Alagheband Bahrami2, Elmira Mohammadi3, Shahrzad Ahangarzadeh3, Meysam Mobasheri4
1Hamadan University of Medical Sciences
2دانشگاه علوم پزشکی شهید بهشتی
3Isfahan University of Medical Sciences
4Azad university
Abstract:
Frequent and sometimes more dangerous mutations in the SARS-CoV-2 indicate that a stronger strategy is needed to produce an effective vaccine. A vaccine that contains a wider range of virus factors and remains effective if one or more mutations is happen in a part of the genome. In this study, four important virus proteins, S, E, M and Mpro were used to make a multi-epitope protein vaccine. For this purpose, the sequences were retrieved from NCBI gene database and then antigenic determinant of 4 proteins using IEDB, MHCpred, ProPred, RANKPEP, ABCpred, BCpreds, BepiPred, Ellipro servers were selected and a protein structure was designed using 4 domains containing epitopes. After examining its antigenic and allergenicity potential usingVaxiJen v2.0 server AllerTOP v2.0 server respectively, its three-dimensional structure was designed by two servers, Robetta and I-TASSER and then it was docked with immune system receptors using Autodock vina program embedded in the PyRx software. Finally, using the dynamic molecular method by Gromacs package 5.1.1, complexes and interactions were investigated and their interaction energies were measured. The results of the study showed that the designed structure has good relative stability and interacts well with its receptors and can be used as a vaccine candidate for further studies.
Keywords:
SARS-CoV-2; Covid-19; Multi-epitope; Vaccine; Molecular docking; Molecular dynamics
Status : Paper Accepted (Poster Presentation)