Abstract:
Coronaviruses belong to Coronaviridae, a family of enveloped, single stranded positive sense RNA viruses with crown like appearance. Coronaviruses are major pathogenic viruses causing lethal neurological, hepatic and enteric diseases in animals, humans and other mammals. In the present study, immunoinformatics approaches were applied to discover the SARS-CoV-2 virulent epitopes that can be used to develop SARS-CoV-2 vaccines. The B-cell and Cytotoxic T-lymphocytes (CTL) epitopes were predicted for the non-structural protein of SARS-CoV-2. The selected CTL epitopes having major histocompatibility (MHC) molecules and HLA molecules were analyzed through their binding affinity, interactional sites, antigenic sites and molecular docking analyses. The ZINC database library was selected and 12 top-ranked compounds with the least binding energies were considered for further experiments. The scrutinized drug molecules ZINC3816514, ZINC3932831, ZIN72318121, ZINC43207238, ZINC1548097, ZINC3995811, ZINC3830405, ZINC3816292, ZINC100016058, ZINC16052277, ZINC3920266 and ZINC84441937 have shown least binding affinities ranging from -8.9 to -7.1 kcal/mol. In conclusion, CTL epitopes were found as potential targets of a peptide-based vaccine. Moreover, reported drug molecules probably have the potential of replication inhibition of SARS-CoV-2.
Page(s):
105-105
DOI:
DOI not available
Published:
Journal: Abstract Book on Global Science Technology and Management Conference, Volume: 0, Issue: 0, Year: 2023