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image of Designing of Peptide Vaccine by Investigating Monkeypox Virus Membrane Glycoprotein: An Integrated In Silico and Immunoinformatics Approach

Abstract

Background

In 2022, the World Health Organisation (WHO) announced new cases of the developing Monkeypox Virus (MPXV), a zoonotic orthopoxvirus viral infection that mimics smallpox signs. Despite the ongoing infection, no proper medication is available to completely overcome this infection.

Aim

The study aims to construct a multi-epitope vaccine targeting Monkeypox Virus (MPXV) membrane glycoprotein to provoke robust immune responses.

Objective

To construct a potential immuno-dominant epitope vaccine to combat MPXV.

Methods

The target sequence, sourced from the UAE-to-India travel case, was analyzed to identify potential B-cell and T-cell epitopes (MHC-I and MHC-II). Immunodominant epitopes were selected and fused with β-defensin-I and PADRE to increase immunogenicity. The vaccine was modeled, docked with TLR3, and subjected to a 500 ns molecular dynamics simulation for stability analysis. Immune responses and bacterial expression were also evaluated.

Results

The vaccine, comprising 230 amino acids, demonstrated antigenicity (0.6620), non-allergenicity, and broad population coverage. Selected epitopes included 3 B-cells, 4 MHC-I, and 2 MHC-II, ensuring a potent immunodominant profile. Docking with TLR3 revealed a binding affinity of -17.2 kcal/mol, while simulations confirmed their stability. Cloning (pET28a (+)) and immune response analyses showed a strong immunogenic profile, including elevated IgG1, IgM, and antigen levels, supported by a Codon Adaptation Index (CAI) of 1.0.

Conclusion

The proposed multi-epitope vaccine shows promise against MPXV. However, further and investigations are essential to confirm its immune efficacy.

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2025-07-09
2025-12-16

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/content/journals/cmc/10.2174/0109298673374742250327041841
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Designing of Peptide Vaccine by Investigating Monkeypox Virus Membrane Glycoprotein: An Integrated In Silico and Immunoinformatics Approach
Bentham Science Publishers ; https://doi.org/10.2174/0109298673374742250327041841
/content/journals/cmc/10.2174/0109298673374742250327041841
/content/journals/cmc/10.2174/0109298673374742250327041841
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  • Article Type:     Research Article
Keywords: simulation ; Epitopes ; monkeypox ; immunoinformatics ; membrane glycoprotein ; peptide vaccine

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