Immunological analysis predicts B and T cell consensus epitopes for the development of a peptide vaccine against SARS-CoV-2 with a global population coverage of 99.82%

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Brief bioinform. December 27, 2021: bbab496. doi: 10.1093 / bib / bbab496. Online before printing.

ABSTRACT

The current global pandemic due to the severe acute respiratory syndrome Coronavirus 2 (SARS-CoV-2) has claimed a considerable number of lives worldwide. Although few vaccines have been launched, a number of vaccine candidates are still in clinical trials with various pharmaceutical companies and laboratories around the world. Given the intrinsic nature of viruses, which mutate and evolve over time, continued efforts are required to develop better vaccine candidates. In this study, various immuninformatics tools and bioinformatics databases were used to derive consensus B-cell and T-cell epitope sequences of the SARS-CoV-2 spike glycoprotein. This approach has identified four potential epitopes that have the ability to trigger both antibody and cell-mediated immune responses, are non-allergenic, and do not trigger autoimmunity. These peptide sequences were also assessed to have 99.82% of global population coverage based on the genotypic frequencies of HLA binding alleles for both MHC Class I and Class II and are unique to SARS-CoV-2, that has been isolated from humans as a host species. Epitope number 2 alone had a global population coverage of 98.2%. Therefore, we further validated the binding and interaction of their constituent T cell epitopes with their corresponding HLA proteins using molecular docking and molecular dynamics simulation experiments, followed by binding free energy calculations with molecular mechanical Poisson-Boltzmann surface, more essential Dynamic analysis and free energy landscape analysis. The immuno-informatics pipeline described and the candidate epitopes discovered here could have a significant impact on efforts to develop globally effective SARS-CoV-2 vaccines.

PMID: 34962259 | DOI: 10.1093 / bib / bbab496


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