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Viruses are extraordinarily diverse in shape and size, but they all have several structural features in common. All viruses have a core that contains a DNA- or RNA-based genome. The core is surrounded by a protective coat of proteins called the capsid. The capsid is composed of subunits called capsomeres. The capsid and genome-containing core are together known as the nucleocapsid.
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Designing a Vaccine for the Monkeypox Virus Using Immunoinformatics and Structural Tools.

Razieh Dowran1,2, Behzad Dehghani3, Mohammad Javad Rasaee4

  • 1Department of Virology, School of Public Health, Tehran University of Medical Sciences, Tehran, Iran.

Advanced Biomedical Research
|March 11, 2026
PubMed
Summary

This study designed a novel multiepitope subunit vaccine against Monkeypox virus (MPXV) using immunoinformatics. The developed vaccine construct shows promise for mpox prevention.

Keywords:
EpitopeMpoximmune-informatics toolssubunitvaccine

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Area of Science:

  • Vaccinology
  • Computational Biology
  • Immunology

Background:

  • Monkeypox virus (MPXV) causes mpox, a disease preventable by vaccination.
  • Vaccination remains the primary strategy for mpox prevention.
  • Immunoinformatics offers a powerful approach for rational vaccine design.

Purpose of the Study:

  • To design a novel multiepitope subunit vaccine against MPXV.
  • To utilize immunoinformatics tools for optimizing vaccine candidate selection and construction.
  • To create a potential preventative measure against mpox.

Main Methods:

  • Selection of seven MPXV antigens based on literature review.
  • Evaluation of B cell, T cell, MHC-I, and MHC-II epitopes.
  • Tertiary structure and homology modeling, physicochemical property assessment, molecular docking, and codon optimization were performed.

Main Results:

  • Three sequences (B18R, N2R, I1L) were excluded due to lack of epitopes, allergenicity, or antigenicity.
  • A final vaccine construct was designed incorporating four gene segments, two adjuvants, and two T-helper molecules.
  • The designed protein exhibited favorable physicochemical properties (pI: 7.96, MW: ~16 kDa) and was cloned into a pET-28a(+) vector.

Conclusions:

  • A novel multiepitope vaccine construct against MPXV was successfully designed using immunoinformatics.
  • The designed construct represents a promising subunit vaccine candidate for mpox.
  • Further experimental validation is warranted to assess the immunogenicity and efficacy of the designed vaccine.