In silico design of a multi-epitope pan vaccine targeting Schistosoma species

Schistosomiasis remains a significant public health burden, necessitating the development of effective vaccines against it. In this study, a multi-epitope subunit vaccine was designed against adenylate kinase 2 protein and evaluated for its potential to elicit protective immunity against three Schistosoma species. CTL, HTL, and B-cell epitopes were identified using immunoinformatics tools and linked using AAY and KK linkers, respectively. The 50S ribosomal protein L7/L12, a known TLR4 agonist, was incorporated as an adjuvant to enhance immune activation in the vaccine. Molecular docking and molecular dynamics (MD) simulations demonstrated a strong binding affinity between the vaccine and human TLR4, supported by low RMSD and Rg values, indicating structural stability. The negative binding energy further validated the vaccine's potential for engaging TLR4. The immunogenic profile predicted robust activation of CD4+ and CD8+ T cells, as well as neutralizing antibody responses. These findings highlight the potential of the vaccine to stimulate both cell-mediated and humoral immunity, making it a promising candidate for further experimental validation against schistosomiasis.