Currently, no approved vaccine is available against the Middle East respiratory syndrome coronavirus (MERS-CoV), which causes severe respiratory disease. The spike glycoprotein is typically considered a suitable target for MERS-CoV vaccine candidates. A computational strategy can be used to design an antigenic vaccine against a pathogen. Therefore, we used immunoinformatics and computational approaches to design a multi-epitope vaccine that targets the spike glycoprotein of MERS-CoV. After using numerous immunoinformatics tools and applying several immune filters, a poly-epitope vaccine was constructed comprising cytotoxic T-cell lymphocyte (CTL)-, helper T-cell lymphocyte (HTL)-, and interferon-gamma (IFN-γ)-inducing epitopes. In addition, various physicochemical, allergenic, and antigenic profiles were evaluated to confirm the immunogenicity and safety of the vaccine. Molecular interactions, binding affinities, and the thermodynamic stability of the vaccine were examined through molecular docking and dynamic simulation approaches, during which we identified a stable and strong interaction with Toll-like receptors (TLRs). In silico immune simulations were performed to assess the immune-response triggering capabilities of the vaccine. This computational analysis suggested that the proposed vaccine candidate would be structurally stable and capable of generating an effective immune response to combat viral infections; however, experimental evaluations remain necessary to verify the exact safety and immunogenicity profile of this vaccine.
【저자키워드】 Drug discovery, Computational biology and bioinformatics, 【초록키워드】 Vaccine, immune response, spike glycoprotein, molecular docking, TLRs, MERS-CoV, Toll-like receptor, immune, lymphocyte, Epitopes, stability, pathogen, vaccine candidate, immunoinformatics, target, T-cell, interactions, Interaction, Immune simulation, Multi-epitope vaccine, Middle East, binding affinities, profile, approaches, severe respiratory disease, antigenic, vaccine candidates, respiratory syndrome coronavirus, computational analysis, triggering, effective, performed, examined, addition, evaluated, approved, can be used, suggested, cause, the vaccine, thermodynamic, allergenic, computational approach, physicochemical, 【제목키워드】 MERS-CoV, immunoinformatics, Multi-epitope vaccine, approach,