Immunoinformatics based design of a multiepitope vaccine targeting

Objectives: To design and computationally evaluate a multiepitope-based vaccine candidate targeting antigenic proteins of Methods: Three antigenic proteins, ATP-dependent zinc metalloprotease FtsH, signal peptidase I, and protein translocase subunit SecY, were selected based on antigenicity, non-allergenicity, and non-toxicity. B-cell and T-cell epitopes were predicted and screened for immunogenic potential and global population coverage. A multiepitope vaccine construct containing six MHC class I and six MHC class II epitopes was assembled using appropriate linkers and a beta-defensin-3 adjuvant. Structural modeling, molecular docking with Toll-like receptor 4 (TLR4), and molecular dynamics simulations were performed to assess structural behavior and receptor interactions. Codon optimization and Results: The final vaccine construct showed antigenicity with a VaxiJen score of 0.5666 and structural stability with an instability index of 32.50. Population coverage analysis indicated 93.20 % global coverage. Molecular docking and molecular dynamics simulations indicated stable interactions with TLR4. Codon optimization suggested improved translational compatibility in Conclusions: The computational analysis suggests that the designed multiepitope construct has characteristics associated with immunogenic potential and structural stability. Further experimental validation is required to confirm its biological efficacy.