Computational Design and Immunoinformatic Analysis of a Multi-Epitope Vaccine Targeting Zika Virus EDIII Protein

The Zika virus (ZIKV) is a viral pathogen that causes neurological disorders and congenital abnormalities, with no approved, effective vaccine available for its prevention. The goal of this research is to create a new multi-epitope vaccine that targets ZIKV and uses immunoinformatic techniques to elicit a strong immune response. We used the IEDB service to predict putative MHC class I and II epitopes based on the ZIKV envelope protein domain III (EDIII) (5KVG_E) sequence. Adjuvants were added to the vaccine formulation to increase immunogenicity. The vaccine’s N-terminal was altered to incorporate the 60S ribosomal protein L37a, which has helper T lymphocyte (HTL) and cytotoxic T lymphocyte (CTL) epitopes joined by appropriate linkers. The final design exhibited an antigenicity score of 0.4565 and was predicted to be nonallergenic. Molecular docking studies showed the vaccine construct demonstrated excellent binding affinity (−1055 kcal/mol) to the TLR8 receptor, and molecular simulations suggested high stability in the complex. Immune simulations indicated that the vaccine design effectively stimulates both B- and T-cells, enhancing the production of cytokines and antibodies to combat ZIKV. This multi-epitope vaccine, which aims to elicit both innate and adaptive immune responses, holds promise for the development of a more effective ZIKV vaccine. Further validation through in vivo and in vitro studies is essential to confirm its immunogenicity and efficacy.