Immunoinformatic analysis of conserved immunodominant epitopes derived from Newcastle disease virus strains prevalent in West Africa

Search for immunogenic epitopes in the structure of major antigens of the Newcastle disease virus

A bioinformatic analysis of the proteomes of the major Newcastle disease virus antigens — the F and HN proteins — was carried out to identify potential immunogenic epitopes, indicating high potential immunogenicity of several identified sequences.

Conserved epitope-driven in silico design of a multi-epitope vaccine against the tick-borne wetland virus.

These computational results suggest that the construct has the potential to induce effective immunity against WELV, however further experimental validations in future have to be performed in order to confirm its efficacy against the pathogen.

Proteome conserved multi-epitope-based vaccine construct against Nipah virus.

Immunoinformatics-guided design of a conserved multi-epitope vaccine candidate against pathogenic human coronaviruses.

Development of a potential vaccine against dengue and chikungunya virus co-infection using immunoinformatics and structural evaluation

Dengue virus (DENV) and chikungunya virus (CHIKV) co-infection poses a growing challenge in regions where both arboviruses co-circulate, highlighting the need for integrated vaccine strategies. Here, we designed a multi-epitope subunit vaccine candidate targeting conserved regions of the DENV NS1 protein and the CHIKV NSP1 protein using an immunoinformatics-based approach. Conserved CTL, HTL, and B-cell epitopes were selected on the basis of antigenicity, safety-related screening, and population coverage, then assembled with immunologically appropriate linkers and an N-terminal human β-defensin-2 adjuvant. The construct displayed favourable physicochemical features and acceptable structural quality after three-dimensional modeling and validation. Docking analysis indicated stable interaction with human TLR4, which was further examined by normal-mode analysis and 100-ns all-atom molecular dynamics simulations performed in AMBER v24 with the ff19SB force field. Trajectory analyses supported conformational stability of the vaccine-TLR4 complex, and MM/GBSA calculations suggested favourable binding energetics. Codon optimization supported expression feasibility in the E. coli pET-28a(+) system. In silico immune simulation further predicted induction of both humoral and cellular immune responses, with increased antibody production and immune-memory development. These results support the proposed construct as a rational candidate for further experimental evaluation toward a vaccine strategy against DENV-CHIKV co-infection.

Integrative immunoinformatics and structural modeling for the rational design of a multi-epitope vaccine candidate against human cytomegalovirus

Human cytomegalovirus (CMV) is a globally widespread pathogen associated with significant morbidity in immunocompromised individuals. Despite its clinical importance, no licensed vaccine is currently available. This study aimed to design a rational multi-epitope vaccine candidate targeting CMV using an integrative approach combining immunoinformatics and structural biology. Viral proteins were screened to identify epitopes with high affinity for B cells, cytotoxic T cells (CTLs), and helper T cells (HTLs) using the Immune Epitope Database (IEDB). Selected epitopes were filtered according to their antigenicity and toxicity and then assembled into a chimeric construct incorporating an immunostimulatory adjuvant. The designed vaccine was evaluated for its physicochemical properties, validated by Ramchandran and ERRAT analyses. Molecular modeling demonstrated strong and stable interactions with key innate immunity receptors, including TLR7 and TLR9, interactions confirmed by molecular dynamics simulations. In silico immune simulation predicted a robust and durable immune response, characterized by high levels of IgM and IgG, as well as significant activation of CD4 + and CD8 + lymphocytes and innate immunity components. These results highlight the potential of the proposed multi-epitope construct as a promising vaccine candidate against HCMV. However, experimental validation is essential to confirm its immunogenicity, safety, and translational applicability.