Rational design of multi epitope-based subunit vaccine by exploring MERS-COV proteome: Reverse vaccinology and molecular docking approach

PLoS One. 2021 Feb 3;16(2):e0245072. doi: 10.1371/journal.pone.0245072. eCollection 2021.

Abstract

Middle East respiratory syndrome (MERS-COV), first identified in Saudi Arabia, was caused by a novel strain of coronavirus. Outbreaks were recorded from different regions of the world, especially South Korea and the Middle East, and were correlated with a 35% mortality rate. MERS-COV is a single-stranded, positive RNA virus that reaches the host by binding to the receptor of dipeptidyl-peptides. Because of the unavailability of the vaccine available for the protection from MERS-COV infection, the rapid case detection, isolation, infection prevention has been recommended to combat MERS-COV infection. So, vaccines for the treatment of MERS-COV infection need to be developed urgently. A possible antiviral mechanism for preventing MERS-CoV infection has been considered to be MERS-CoV vaccines that elicit unique T-cell responses. In the present study, we incorporated both molecular docking and immunoinformatic approach to introduce a multiepitope vaccine (MEP) against MERS-CoV by selecting 15 conserved epitopes from seven viral proteins such as three structural proteins (envelope, membrane, and nucleoprotein) and four non-structural proteins (ORF1a, ORF8, ORF3, ORF4a). The epitopes, which were examined for non-homologous to host and antigenicity, were selected on the basis of conservation between T-cell, B-cell, and IFN-γ epitopes. The selected epitopes were then connected to the adjuvant (β-defensin) at the N-terminal through an AAY linker to increase the immunogenic potential. Structural modelling and physiochemical characteristic were applied to the vaccine construct developed. Afterwards the structure has been successfully docked with antigenic receptor, Toll-like receptor 3 (TLR-3) and in-silico cloning ensures that its expression efficiency is legitimate. Nonetheless the MEP presented needs tests to verify its safety and immunogenic profile.

MeSH terms

  • Amino Acid Sequence
  • Binding Sites
  • Coronavirus Infections / immunology
  • Coronavirus Infections / pathology
  • Coronavirus Infections / prevention & control
  • Drug Design
  • Epitopes / chemistry
  • Epitopes / immunology*
  • Humans
  • Middle East Respiratory Syndrome Coronavirus / metabolism*
  • Molecular Docking Simulation
  • Protein Structure, Secondary
  • Protein Structure, Tertiary
  • Proteome*
  • Vaccines, Subunit / chemistry
  • Vaccines, Subunit / immunology
  • Viral Nonstructural Proteins / chemistry
  • Viral Nonstructural Proteins / immunology
  • Viral Structural Proteins / chemistry
  • Viral Structural Proteins / immunology
  • Viral Vaccines / chemistry
  • Viral Vaccines / immunology*

Substances

  • Epitopes
  • Proteome
  • Vaccines, Subunit
  • Viral Nonstructural Proteins
  • Viral Structural Proteins
  • Viral Vaccines

Grants and funding

The author(s) received no specific funding for this work