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Research Article Section: Natural Products

In silico Investigation of Immunodominant Antigenic Regions, Helper T Lymphocyte, and Cytotoxic T Lymphocyte Epitopes Credentials for SARS-CoV-2 Vaccination

Author(s): Manikandan Selvaraj, Lakshmanan Loganathan, John Marshal Jayaraj, Krishnasamy Gopinath, Kannan Rajendran, Mehboobali Pannipara, Abdullah G. Al-Sehemi and Karthikeyan Muthusamy*

Volume 2, Issue 3, 2022

Published on: 26 April, 2022

Page: [226 - 242] Pages: 17

DOI: 10.2174/2210298102666220224115100

Price: $65

Abstract

Background: Recently, COVID-19 cases have been increasing globally at an alarming rate due to the COVID-19 second wave despite the mass vaccination programs. Search for the potential vaccine for SARS-CoV-2 is still in progress. The epitope-based vaccine is effective and is a cornerstone in vaccine development. The quick prediction of epitopes could be a proficient way of monitoring vaccine development during a global health crisis.

Objective: This study focused on predicting the potential epitopes with computational tools for effective vaccine development.

Methods: NetCTLpan v. 1.1 and NetMHCIIpan v. 3.2 servers were used for T-cell epitope analysis. IEDB servers were employed for HLA and DRB1 peptide calculations. The epitope’s immunogenicity, toxicity, physiochemical character, and other features are measured by immunogen evaluation. Furthermore, the top-ranked immunogenic epitopes were computationally validated by molecular docking analysis. The epitopes are docked to toll-like receptors (TLRs), which are helpful in generating an immune response against SARS-CoV-2.

Results: Overall, six HTL and CTL epitopes were predicted (IDGYFKIYSKH, HPLSHFVNLDNL, RIGNNYKLNT and WTAGAAAYYVG, MACLVGLMWLS, FRLKGGAPIKGVT), which had good immunogenicity scores and stable interaction with toll-like receptor (TLR). Therefore, these epitopes can bind with HLA and DRB1 molecules, respectively.

Conclusion: The computationally predicted antigenic regions might be considered for an epitopebased vaccine against SARS-CoV-2 after in vitro testing.

Keywords: Immune epitope database, cytotoxic T lymphocyte, helper T lymphocyte epitopes, antigen-presenting cells, SARSCoV- 2, immunodominant, antigenic regions.

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[http://dx.doi.org/10.1080/07391102.2018.1521748]

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