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Immunoinformatics-based strategies for developing DNA and mRNA vaccines against monkeypox virus (MPXV)
Siyab Khan1,2, Ikram Ullah1, Muhammad Rizwan3
1School of Life Sciences, Northeast Normal University, Changchun, Jilin, 130024, China.
Virology Journal
|November 14, 2025
Summary
Researchers designed novel DNA and mRNA vaccines against monkeypox virus (MPXV) using immunoinformatics. These vaccines demonstrated strong antigenicity, stability, and immune stimulation, paving the way for potential MPXV therapeutics.
Area of Science:
- * Virology and Immunology
- * Bioinformatics and Computational Biology
Background:
- * Monkeypox virus (MPXV) is a zoonotic orthopoxvirus with similarities to smallpox, posing a public health threat.
- * There is an urgent need for effective vaccines against MPXV due to the lack of clinically validated treatments.
Purpose of the Study:
- * To design novel multiple-epitope DNA and mRNA vaccines against MPXV using immunoinformatics and reverse vaccinology.
- * To assess the antigenicity, allergenicity, and structural integrity of potential vaccine candidates.
- * To predict the efficacy of the designed vaccines in stimulating an immune response.
Main Methods:
- * Selection and analysis of eleven MPXV proteins for antigenicity and allergenicity using UniProt.
- * Prediction of T-cell (MHC-I, MHC-II) and B-cell epitopes.
- * Design of DNA and mRNA vaccine constructs incorporating epitopes, linkers, adjuvants, and specific mRNA elements (5' cap, UTRs, Kozak, poly(A) tail).
- * In silico validation including structural analysis, molecular docking with human TLR-8, molecular dynamics simulations, immune simulations, and expression system viability assessment (E. coli).
Main Results:
- * Identification of highly antigenic and non-allergenic MPXV proteins.
- * Design of stable DNA and mRNA vaccine constructs with favorable physicochemical properties (antigenicity, solubility, hydrophilicity).
- * Robust interaction of vaccines with human TLR-8 (-1208.2 kcal/mol docking score) and confirmed stability via MD simulations.
- * In silico immune simulation indicated strong stimulation of IgG and IgM antibody production.
- * Codon optimization for mRNA vaccine resulted in high expression efficiency (CAI score 0.83, GC content 60.46%) and stability (MFE: -2170.70 kcal/mol).
Conclusions:
- * The designed DNA and mRNA vaccines show significant potential for MPXV prevention.
- * Computational analyses confirm the stability, immunogenicity, and expression viability of the vaccine candidates.
- * Further in vitro and in vivo studies are warranted to validate the safety and efficacy of these novel MPXV vaccines.
