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Published on: March 24, 2017
Multiepitope-Based Peptide Vaccine Against A35R Glycoprotein and E8L Membrane Protein of Monkeypox Virus Using an
Laaiba Attique1, Syed Babar Jamal1, Tayyaba Gulistan2
1Department of Biological Sciences, National University of Medical Sciences, Rawalpindi 46000, Pakistan.
Abstract:
Monkeypox virus, a zoonotic DNA virus belonging to the Orthopoxvirus genus, has emerged as a global health issue because of its fast spread to 104 nations over six continents. In the current study, an immunoinformatics pipeline was used to design a multiepitope-based prophylactic vaccine targeting the A35R glycoprotein and E8L membrane proteins of the monkeypox virus. Selected target proteins were surface-exposed, non-homologous to the human proteome, and essential for viral pathogenesis. B-cell and T-cell (MHC-I and MHC-II) epitopes with high antigenicity (>0.5), non-allergenicity, non-toxicity, and highly soluble in water with strong affinity towards innate and adaptive receptors, were prioritized. Shortlisted epitopes were combined to design the final vaccine utilizing an adjuvant (50S ribosomal L7/L12) and appropriate linkers for improved immunogenicity. Population coverage analysis showed wide HLA representation with 83.57% (MHC-I) and 88.8% (MHC-II) global coverage, including 89.6% for West Africa and 87.3% for Central Africa. Docking analysis of the vaccine construct with the TLR-4 receptor revealed stable interactions (-695.6 kcal/mol). Molecular dynamics simulations and binding free energies further confirmed structural stability. Immune simulations predicted strong activation of both humoral and cellular immune responses. These results indicate that the designed multiepitope vaccine construct is a viable option for additional experimental validation against the monkeypox virus.
Insights
A novel multiepitope vaccine targeting monkeypox virus (MPXV) proteins was designed using immunoinformatics. This prophylactic vaccine shows potential for broad population coverage and strong immune response activation, warranting further experimental validation.
Area of Science:
- Virology
- Immunology
- Vaccine Development
Background:
- Monkeypox virus (MPXV) poses a global health threat due to rapid international spread.
- MPXV is a zoonotic DNA virus within the Orthopoxvirus genus.
- Effective prophylactic strategies are needed to combat MPXV outbreaks.
Purpose of the Study:
- To design a multiepitope-based prophylactic vaccine against MPXV using an immunoinformatics approach.
- To identify and select high-affinity B-cell and T-cell epitopes from MPXV surface proteins (A35R and E8L).
- To evaluate the vaccine construct's immunogenicity, population coverage, and stability through computational methods.
Main Methods:
- An immunoinformatics pipeline was employed to select MPXV epitopes.
- Epitopes were chosen based on antigenicity, non-allergenicity, non-toxicity, and solubility.
- A vaccine construct was assembled using selected epitopes, an adjuvant (50S ribosomal L7/L12), and linkers.
- Computational analyses included population coverage, molecular docking, molecular dynamics simulations, and immune simulations.
Main Results:
- The designed vaccine construct targets MPXV A35R glycoprotein and E8L membrane proteins.
- Selected epitopes demonstrated high antigenicity, non-allergenicity, and non-toxicity.
- The vaccine construct achieved significant global HLA population coverage (83.57% MHC-I, 88.8% MHC-II).
- Computational simulations confirmed stable interactions with TLR-4, structural integrity, and predicted strong humoral and cellular immune responses.
Conclusions:
- The in silico designed multiepitope vaccine is a promising candidate for MPXV prevention.
- The vaccine construct exhibits favorable immunogenic properties and broad population applicability.
- Further experimental validation is recommended to confirm the efficacy of this MPXV vaccine candidate.
