Immunoinformatics-guided design of an epitope-based vaccine against severe acute respiratory syndrome coronavirus 2 spike glycoprotein

Comput Biol Med. 2020 Sep:124:103967. doi: 10.1016/j.compbiomed.2020.103967. Epub 2020 Aug 13.

Abstract

Aims: With a large number of fatalities, coronavirus disease-2019 (COVID-19) has greatly affected human health worldwide. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the virus that causes COVID-19. The World Health Organization has declared a global pandemic of this contagious disease. Researchers across the world are collaborating in a quest for remedies to combat this deadly virus. It has recently been demonstrated that the spike glycoprotein (SGP) of SARS-CoV-2 is the mediator by which the virus enters host cells.

Main methods: Our group comprehensibly analyzed the SGP of SARS-CoV-2 through multiple sequence analysis and a phylogenetic analysis. We predicted the strongest immunogenic epitopes of the SGP for both B cells and T cells.

Key findings: We focused on predicting peptides that would bind major histocompatibility complex class I. Two optimal epitopes were identified, WTAGAAAYY and GAAAYYVGY. They interact with the HLA-B*15:01 allele, which was further validated by molecular docking simulation. This study also found that the selected epitopes are able to be recognized in a large percentage of the world's population. Furthermore, we predicted CD4+ T-cell epitopes and B-cell epitopes.

Significance: Our study provides a strong basis for designing vaccine candidates against SARS-CoV-2. However, laboratory work is required to validate our theoretical results, which would lay the foundation for the appropriate vaccine manufacturing and testing processes.

Keywords: COVID-19; Epitope; Immunoinformatics; SARS-CoV-2; Spike glycoprotein.

MeSH terms

  • Amino Acid Sequence
  • Antigens, Viral / chemistry
  • Antigens, Viral / genetics
  • Antigens, Viral / immunology
  • Betacoronavirus* / genetics
  • Betacoronavirus* / immunology
  • COVID-19
  • COVID-19 Vaccines
  • Computational Biology
  • Coronavirus Infections / epidemiology
  • Coronavirus Infections / genetics
  • Coronavirus Infections / immunology
  • Coronavirus Infections / prevention & control*
  • Drug Design
  • Epitopes, B-Lymphocyte / chemistry
  • Epitopes, B-Lymphocyte / genetics
  • Epitopes, B-Lymphocyte / immunology
  • Epitopes, T-Lymphocyte / chemistry
  • Epitopes, T-Lymphocyte / genetics
  • Epitopes, T-Lymphocyte / immunology
  • HLA-B15 Antigen / chemistry
  • HLA-B15 Antigen / metabolism
  • HLA-DRB1 Chains / chemistry
  • HLA-DRB1 Chains / metabolism
  • Humans
  • Molecular Docking Simulation
  • Pandemics / prevention & control*
  • Pneumonia, Viral / epidemiology
  • Pneumonia, Viral / immunology
  • Pneumonia, Viral / prevention & control*
  • SARS-CoV-2
  • Spike Glycoprotein, Coronavirus / immunology*
  • Viral Vaccines / chemistry
  • Viral Vaccines / genetics
  • Viral Vaccines / immunology*

Substances

  • Antigens, Viral
  • COVID-19 Vaccines
  • Epitopes, B-Lymphocyte
  • Epitopes, T-Lymphocyte
  • HLA-B15 Antigen
  • HLA-DRB1 Chains
  • Spike Glycoprotein, Coronavirus
  • Viral Vaccines
  • spike protein, SARS-CoV-2