Scholarlink

<p>Nipah virus (NiV) remains a critical zoonotic threat in South and Southeast Asia due to its high fatality rate and the absence of a licensed human vaccine. In this study, an immunoinformatics-driven strategy was employed to design a population-specific multi-epitope vaccine targeting the fusion (F) and glycoprotein (G) of NiV. A total of four B-cell epitopes, ten cytotoxic T lymphocyte (CTL) epitopes, and eight helper T lymphocyte (HTL) epitopes were selected based on strong HLA binding affinity, high antigenicity, and favorable safety profiles. All selected epitopes were predicted to be non-allergenic and non-toxic, with VaxiJen antigenicity. Population coverage analysis revealed extensive coverage across endemic regions, exceeding 97.98% in South Asia and 99.41% in Southeast Asia. The final multi-epitope construct demonstrated favorable physicochemical properties, including structural stability and hydrophilic characteristics. Structural modeling and validation confirmed a reliable tertiary structure, with 92.2% of residues located in favored regions of the Ramachandran plot and an ERRAT score of 90.5. Molecular docking analysis showed strong binding affinities between the vaccine construct and Toll-like receptors, particularly TLR3 (-17.0 ΔG kcal/mol, 8 hydrogen bonds, 7 salt bridges), followed by TLR4 (-15.8 ΔG kcal/mol, 14 hydrogen bonds, 3 salt bridges) and TLR2 (-15.1 ΔG kcal/mol, 10 hydrogen bonds, 3 salt bridges), suggesting a potential for innate immune receptor engagement that warrants further experimental validation. Structure-based flexibility analyses suggested limited conformational fluctuations at the predicted vaccine–receptor interaction interfaces. Immune simulation predicted robust humoral and cellular immune responses, characterized by elevated IgG titers, cytokine production, and the generation of memory B and T cells. Codon optimization and in silico cloning into the pET-28a(+) vector indicated high expression feasibility in <i>Escherichia coli</i> K12. Overall, this study presents a rational computational framework for developing a safe, immunogenic, and region-specific NiV vaccine candidate, warranting further experimental validation.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Multi-epitope vaccine design against Nipah virus: An immunoinformatics approach targeting South and Southeast Asia populations

  • 期刊论文

  • 发表日期：

    2026年4月28日

查看全文
  • Moh. Royhan Afnani,
  • Viol Dhea Kharisma,
  • Aswin Rafif Khairullah,
  • Abdugani Abdurasulov,
  • Roza Abdyldayeva,
  • Maksim Rebezov,
  • Arli Aditya Parikesit,
  • Vikash Jakhmola,
  • Rollando Rollando,
  • Arif Nur Muhammad Ansori

摘要

Nipah virus (NiV) remains a critical zoonotic threat in South and Southeast Asia due to its high fatality rate and the absence of a licensed human vaccine. In this study, an immunoinformatics-driven strategy was employed to design a population-specific multi-epitope vaccine targeting the fusion (F) and glycoprotein (G) of NiV. A total of four B-cell epitopes, ten cytotoxic T lymphocyte (CTL) epitopes, and eight helper T lymphocyte (HTL) epitopes were selected based on strong HLA binding affinity, high antigenicity, and favorable safety profiles. All selected epitopes were predicted to be non-allergenic and non-toxic, with VaxiJen antigenicity. Population coverage analysis revealed extensive coverage across endemic regions, exceeding 97.98% in South Asia and 99.41% in Southeast Asia. The final multi-epitope construct demonstrated favorable physicochemical properties, including structural stability and hydrophilic characteristics. Structural modeling and validation confirmed a reliable tertiary structure, with 92.2% of residues located in favored regions of the Ramachandran plot and an ERRAT score of 90.5. Molecular docking analysis showed strong binding affinities between the vaccine construct and Toll-like receptors, particularly TLR3 (-17.0 ΔG kcal/mol, 8 hydrogen bonds, 7 salt bridges), followed by TLR4 (-15.8 ΔG kcal/mol, 14 hydrogen bonds, 3 salt bridges) and TLR2 (-15.1 ΔG kcal/mol, 10 hydrogen bonds, 3 salt bridges), suggesting a potential for innate immune receptor engagement that warrants further experimental validation. Structure-based flexibility analyses suggested limited conformational fluctuations at the predicted vaccine–receptor interaction interfaces. Immune simulation predicted robust humoral and cellular immune responses, characterized by elevated IgG titers, cytokine production, and the generation of memory B and T cells. Codon optimization and in silico cloning into the pET-28a(+) vector indicated high expression feasibility in Escherichia coli K12. Overall, this study presents a rational computational framework for developing a safe, immunogenic, and region-specific NiV vaccine candidate, warranting further experimental validation.