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Computational design of a multi-epitope vaccine against Helicobacter pylori targeting CagA, FliD, urease, and OipA with cholera toxin B subunit (CTB) adjuvant.

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Τίτλος: Computational design of a multi-epitope vaccine against Helicobacter pylori targeting CagA, FliD, urease, and OipA with cholera toxin B subunit (CTB) adjuvant.
Συγγραφείς: Baniasadi Nejad N; Student Research Committee, Faculty of Pharmacy, Hormozgan University of Medical Sciences, Bandar Abbas, Iran., Shahbazi B; School of Pharmacy, Semnan University of Medical Sciences, Semnan, Iran.; Nervous System Stem Cells Research Center, Semnan University of Medical Sciences, Semnan, Iran., Sarkoohi P; Department of Pharmacology and Toxicology, Faculty of Pharmacy, Hormozgan University of Medical Sciences, Bandar Abbas, Iran., Ahmadi N; School of Pharmacy, Semnan University of Medical Sciences, Semnan, Iran., Ahmadi K; The Persian Gulf Marine Biotechnology Research Center, The Persian Gulf Biomedical Sciences Research Institute, Bushehr University of Medical Sciences, Bushehr, Iran. khadijeh_6482@yahoo.com.; Department of Medical Biotechnology, School of Paramedicine, Bushehr University of Medical Sciences, Bushehr, Iran. khadijeh_6482@yahoo.com.
Πηγή: BMC microbiology [BMC Microbiol] 2026 Apr 25; Vol. 26 (1). Date of Electronic Publication: 2026 Apr 25.
Τύπος έκδοσης: Journal Article
Γλώσσα: English
Στοιχεία περιοδικού: Publisher: BioMed Central Country of Publication: England NLM ID: 100966981 Publication Model: Electronic Cited Medium: Internet ISSN: 1471-2180 (Electronic) Linking ISSN: 14712180 NLM ISO Abbreviation: BMC Microbiol Subsets: MEDLINE
Imprint Name(s): Original Publication: London : BioMed Central, [2001-
Ιατρικοί όροι (MeSH): Helicobacter pylori*/immunology , Helicobacter pylori*/genetics , Bacterial Proteins*/immunology , Bacterial Proteins*/genetics , Cholera Toxin*/immunology , Bacterial Vaccines*/immunology , Bacterial Vaccines*/genetics , Bacterial Vaccines*/chemistry , Helicobacter Infections*/prevention & control , Helicobacter Infections*/immunology , Helicobacter Infections*/microbiology, Antigens, Bacterial/immunology ; Antigens, Bacterial/genetics ; Urease/immunology ; Urease/genetics ; Epitopes, T-Lymphocyte/immunology ; Epitopes, B-Lymphocyte/immunology ; Toll-Like Receptor 2/immunology ; Toll-Like Receptor 4/immunology ; Virulence Factors/immunology ; Immunodominant Epitopes/immunology ; Molecular Dynamics Simulation ; Molecular Docking Simulation ; Immunoinformatics ; Protein Subunit Vaccines ; Humans ; Adjuvants, Immunologic ; Antibodies, Bacterial ; Computational Biology
Περίληψη: BACKGROUND: Helicobacter pylori, a Gram-negative, microaerophilic bacterium with a characteristic spiral morphology, inhabits the stomachs of approximately half of the world’s population. This study aimed to design a multi-epitope vaccine against H. pylori using immunoinformatics approaches, targeting key virulence factors including FliD, CagA, OipA, and urease. METHODS: A multi-epitope vaccine was constructed by linking nine immunodominant epitopes from FliD, urease, CagA, and OipA and the cholera toxin B subunit (CTB) adjuvant. The resulting construct was rigorously evaluated through computational analyses to assess its physicochemical properties, structural stability, molecular docking with TLR2/TLR4, molecular dynamics (MD) simulations, and immune response profiling. RESULTS: Nine immunodominant epitopes from FliD, urease, CagA, and OipA, selected based on overlapping predictions of B and T cell epitopes, were linked with CTB. Structural modeling and validation predicted a stable tertiary structure, while molecular docking revealed strong interactions with TLR2 and TLR4, key receptors of innate immunity. Molecular dynamics simulations over 100 nanoseconds (ns) demonstrated structural stability for both complexes, with the vaccine-TLR4 complex showing higher stability than TLR2. Immune simulations predicted robust humoral and cellular responses, indicating sustained immunity. CONCLUSION: This study successfully designed a novel multi-epitope vaccine candidate against Helicobacter pylori using a comprehensive immunoinformatics approach. These comprehensive in silico analyses suggest that the proposed vaccine is a highly promising candidate for combating Helicobacter pylori infections; however, further in vitro and in vivo studies are essential to validate its efficacy and safety.
Competing Interests: Declarations. Ethics approval and consent to participate: Not applicable. Consent for publication: Not applicable. Competing interests: The authors declare no competing interests.
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Contributed Indexing: Keywords: Helicobacter pylori; CTB; Molecular docking; Molecular dynamics simulation; Multi-epitope vaccine
Substance Nomenclature: 0 (Bacterial Proteins)
0 (Antigens, Bacterial)
9012-63-9 (Cholera Toxin)
0 (cagA protein, Helicobacter pylori)
EC 3.5.1.5 (Urease)
0 (Bacterial Vaccines)
0 (Epitopes, T-Lymphocyte)
0 (Epitopes, B-Lymphocyte)
0 (Protein Subunit Vaccines)
0 (Toll-Like Receptor 2)
0 (Adjuvants, Immunologic)
0 (Toll-Like Receptor 4)
0 (Antibodies, Bacterial)
0 (Virulence Factors)
0 (Immunodominant Epitopes)
Entry Date(s): Date Created: 20260426 Date Completed: 20260628 Latest Revision: 20260813
Update Code: 20260813
PubMed Central ID: PMC13251020
DOI: 10.1186/s12866-026-05078-5
PMID: 42035012
Βάση Δεδομένων: MEDLINE
Περιγραφή
ISSN:1471-2180
DOI:10.1186/s12866-026-05078-5