# Designing a Multi-Epitope Vaccine Against MPXV and HIV Based on an Immunoinformatic Approach

**Authors:** Ding Tang, Siwen Wu, Youchun Wang, Weijin Huang

PMC · DOI: 10.3390/ijms26136313 · 2025-06-30

## TL;DR

This study designs a multi-epitope vaccine using immunoinformatics to target both monkeypox virus and HIV, showing strong potential for immune response.

## Contribution

A novel multi-epitope vaccine candidate is proposed for MPXV and HIV co-infection using immunoinformatic methods.

## Key findings

- The vaccine construct is highly antigenic, soluble, and has favorable physicochemical properties.
- Molecular docking and simulations showed stable interactions with TLR2, TLR3, and TLR4.
- Immune simulations indicated potent humoral and cell-mediated immune responses.

## Abstract

In the current global health environment, the spread of the monkeypox virus (MPXV) and the persistent threat of human immunodeficiency virus (HIV) have become critical public health challenges. Since 2022, MPXV has rapidly disseminated worldwide, and nearly half of MPXV-infected individuals are co-infected with HIV. This complex situation calls for innovative preventive strategies. In this study, an innovative multi-epitope vaccine was designed using bioinformatics and immunoinformatic approaches. Ten HIV proteins and nine MPXV proteins were used to predict potential epitopes. Non-allergenic, highly antigenic, IFN-γ-inducible, and non-toxic epitopes were selected to construct the multi-epitope vaccine. It was found that the designed vaccine construct was highly antigenic, soluble, and had acceptable physicochemical properties. Based on molecular docking and molecular dynamics simulation (MDs) analyses, the vaccine construct demonstrated stable and robust interactions with Toll-like receptors (TLR2, TLR3, and TLR4). Although no actual animal experiments have been conducted to evaluate the vaccine’s effectiveness, immune simulations showed that the vaccine could elicit potent humoral and cell-mediated immune responses. Overall, this study provides a promising vaccine candidate against MPXV and HIV co-infection and emphasizes innovative strategies to interrupt the international transmission of these two viruses.

## Linked entities

- **Proteins:** TLR2 (toll like receptor 2), TLR3 (toll like receptor 3), TLR4 (toll like receptor 4)

## Full-text entities

- **Genes:** TLR4 (toll like receptor 4) [NCBI Gene 7099] {aka ARMD10, CD284, TLR-4, TOLL}, TLR3 (toll like receptor 3) [NCBI Gene 7098] {aka CD283, IIAE2, IMD83}, IFNG (interferon gamma) [NCBI Gene 3458] {aka IFG, IFI, IMD69}, TLR2 (toll like receptor 2) [NCBI Gene 7097] {aka CD282, TIL4}
- **Diseases:** HIV co-infection (MESH:D060085)
- **Species:** Monkeypox virus (no rank) [taxon 10244], Human immunodeficiency virus (species) [taxon 12721]

## Figures

7 figures with captions in the complete paper: https://tomesphere.com/paper/PMC12250479/full.md

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Source: https://tomesphere.com/paper/PMC12250479