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TgVax452, an epitope-based candidate vaccine targeting Toxoplasma gondii tachyzoite-specific SAG1-related sequence (SRS) proteins: immunoinformatics, structural simulations and experimental evidence-based approaches

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  • معلومة اضافية
    • بيانات النشر:
      BMC
    • الموضوع:
      2024
    • Collection:
      Directory of Open Access Journals: DOAJ Articles
    • نبذة مختصرة :
      Background The highly expressed surface antigen 1 (SAG1)-related sequence (SRS) proteins of T. gondii tachyzoites, as a widespread zoonotic parasite, are critical for host cell invasion and represent promising vaccine targets. In this study, we employed a computer-aided multi-method approach for in silico design and evaluation of TgVax452, an epitope-based candidate vaccine against T. gondii tachyzoite-specific SRS proteins. Methods Using immunoinformatics web-based tools, structural modeling, and static/dynamic molecular simulations, we identified and screened B- and T-cell immunodominant epitopes and predicted TgVax452’s antigenicity, stability, safety, adjuvanticity, and physico-chemical properties. Results The designed protein possessed 452 residues, a MW of 44.07 kDa, an alkaline pI (6.7), good stability (33.20), solubility (0.498), and antigenicity (0.9639) with no allergenicity. Comprehensive molecular dynamic (MD) simulation analyses confirmed the stable interaction (average potential energy: 3.3799 × 106 KJ/mol) between the TLR4 agonist residues (RS09 peptide) of the TgVax452 in interaction with human TLR4, potentially activating innate immune responses. Also, a dramatic increase was observed in specific antibodies (IgM and IgG), cytokines (IFN-γ), and lymphocyte responses, based on C-ImmSim outputs. Finally, we optimized TgVax452’s codon adaptation and mRNA secondary structure for efficient expression in E. coli BL21 expression machinery. Conclusion Our findings suggest that TgVax452 is a promising candidate vaccine against T. gondii tachyzoite-specific SRS proteins and requires further experimental studies for its potential use in preclinical trials.
    • ISSN:
      1471-2334
    • Relation:
      https://doi.org/10.1186/s12879-024-09807-x; https://doaj.org/toc/1471-2334; https://doaj.org/article/71fdb966b20e45f4ae4600a10795729f
    • الرقم المعرف:
      10.1186/s12879-024-09807-x
    • الدخول الالكتروني :
      https://doi.org/10.1186/s12879-024-09807-x
      https://doaj.org/article/71fdb966b20e45f4ae4600a10795729f
    • الرقم المعرف:
      edsbas.59607365