Immunoinformatics approach: Developing a multi-epitope vaccine with novel carriers targeting monkeypox virus

Area of Science:

• Vaccinology
• Computational Biology
• Immunology

Background:

• The global spread of monkeypox virus (MPXV) since May 2022 poses a significant public health threat.
• Limited preventive measures are currently available against MPXV.
• There is a critical need for effective MPXV vaccine strategies.

Purpose of the Study:

• To design a multi-epitope vaccine targeting MPXV using computational tools.
• To identify immunodominant epitopes from key MPXV proteins (M1R, B6R, F3L) for T- and B-cell activation.
• To enhance vaccine efficacy through novel carrier molecules for improved immune stimulation and targeted delivery.

Main Methods:

• Bioinformatic analyses for epitope selection from MPXV proteins.
• In silico design of a multi-epitope vaccine construct linked to carriers like CTLA-4, CBP-12, and TLR2.
• Molecular docking and dynamics simulations to evaluate vaccine-receptor interactions (CD80/86, Clec9a, TLR2).
• In silico immune simulation studies to predict immune responses.
• Synthesis and cloning of the vaccine construct's DNA sequence.

Main Results:

• The designed vaccine construct demonstrated strong antigenicity, nonallergenic, and nontoxic properties with favorable physicochemical characteristics.
• Molecular simulations confirmed the vaccine's stability and high affinity for target receptors.
• In silico immune simulations predicted robust innate and adaptive immune responses, including enhanced mucosal immunity.
• The vaccine's DNA sequence was successfully synthesized and cloned.

Conclusions:

• The in silico approach successfully designed a promising multi-epitope vaccine candidate against MPXV.
• The proposed vaccine construct shows potential for inducing significant immune responses and protection.
• Further in vitro and in vivo studies are essential to validate the vaccine's real-world efficacy and safety.