Immunoinformatics aided approach for predicting potent cytotoxic T cell epitopes of respiratory syncytial virus

J Biomol Struct Dyn. 2023;41(21):12093-12105. doi: 10.1080/07391102.2023.2191136. Epub 2023 Mar 19.

Abstract

Respiratory syncytial virus (RSV) is an infectious viral pathogen that causing serious respiratory infection in adults and neonates. The only approved therapies for RSV are the monoclonal antibodies palivizumab and its derivative motavizumab. Both treatments are expensive and require a hospital setting for administration. A vaccine represents a safe, effective and cheaper alternative for preventing RSV infection. In silico prediction methods have proven to be valuable in speeding up the process of vaccine design. In this study, reverse vaccinology methods were used to predict the cytotoxic T lymphocytes (CTL) epitopes from the entire proteome of RSV strain A. From amongst 3402 predicted binders to 12 high frequency alleles from the Immune Epitope Database (IEDB), 567 had positive processing scores while 327 epitopes were predicted to be immunogenic. A thorough examination of the 327 epitopes for possible antigenicity, allergenicity and toxicity resulted in 95 epitopes with desirable properties. A BLASTp analysis revealed 94 unique and non-homologous epitopes that were subjected to molecular docking across the 12 high frequency alleles. The final dataset of 70 epitopes contained 13 experimentally proven and 57 unique epitopes from a total of 11 RSV proteins. From our findings on selected T-cell-specific RSV antigen epitopes, notably the four epitopes confirmed to exhibit stable binding by molecular dynamics. The prediction pipeline used in this study represents an effective way to screen the immunogenic epitopes from other pathogens.Communicated by Ramaswamy H. Sarma.

Keywords: Respiratory syncytial virus; allele; cytotoxic T cell; epitope; immunogenicity; vaccine.

MeSH terms

  • Adult
  • Antineoplastic Agents*
  • Epitopes, B-Lymphocyte
  • Epitopes, T-Lymphocyte
  • Humans
  • Infant, Newborn
  • Molecular Docking Simulation
  • Respiratory Syncytial Virus Vaccines*
  • Respiratory Syncytial Virus, Human*
  • T-Lymphocytes, Cytotoxic
  • Vaccines, Subunit

Substances

  • Epitopes, T-Lymphocyte
  • Respiratory Syncytial Virus Vaccines
  • Antineoplastic Agents
  • Epitopes, B-Lymphocyte
  • Vaccines, Subunit