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May 15, 20262 citations

Immunoinformatics-driven design of a multi-epitope vaccine against Seoul Virus: Structural, dynamic, and immunogenic profiling.

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MNMuhammad NaveedMAMuhammad AsimTATariq Aziz

Key Points

  • The aim was to design a glycoprotein-based multi-epitope vaccine against Seoul Virus using immunoinformatics methods.
  • Predicted MHC-I and MHC-II epitopes using the Immune Epitope Database (IEDB).
  • Designed four constructs, with the V2 construct chosen as the best candidate based on structural modeling and antigenicity.
  • Conducted molecular docking with TLR-4 and dynamic simulations for stability and immunogenic profiling.
  • The V2 construct showed an antigenicity of 0.683 and 95.94% population coverage.
  • Structural validation indicated 95.6% of residues in favored regions, confirming model reliability.
  • High IgG1 titers predicted from immune simulations indicate strong immunogenic responses.

Abstract

BACKGROUND AND OBJECTIVE: Seoul Virus (SEOV), a zoonotic hantavirus, is a major cause of Hemorrhagic Fever with Renal Syndrome (HFRS) and represents a global health challenge. With no licensed vaccines or specific antivirals available, this study aimed to design a glycoprotein-based multi-epitope vaccine against SEOV using immunoinformatics approaches. MATERIALS AND METHODS: MHC-I and MHC-II epitopes were predicted via the Immune Epitope Database (IEDB) and screened for antigenicity, non-allergenicity, and non-toxicity. Four constructs were designed, with V2 selected as the best candidate. Structural modeling was performed using AlphaFold3 and validated with Ramachandran analysis. Molecular docking with Toll-like receptor-4, molecular dynamics simulations, and immune simulations were conducted to evaluate stability and immunogenicity. RESULTS: The V2 construct demonstrated high antigenicity (0.683) and broad population coverage (95.94%). Structural validation confirmed 95.6% of residues in favored regions. Docking revealed strong binding to Toll-like receptor-4, and dynamics confirmed stability through RMSD, RMSF, Rg, PCA, DCCM, and FEL analysis. Immune simulations predicted robust responses, including high IgG1 titers. Codon optimization (GC content 56.62%) and cloning confirmed expression potential. CONCLUSIONS: The V2 construct exhibits stability, strong immunogenicity, and broad population coverage, supporting its potential as a vaccine candidate against SEOV. Experimental validation in vitro and in vivo is required to confirm efficacy and safety.

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Cite This Study

Naveed et al. (2026) studied this question.

synapsesocial.com/papers/6a06b83de7dec685947aab2ahttps://doi.org/10.1016/j.clinsp.2026.100991
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