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January 18, 2026Scientific Reports0 citationsOpen Access

In silico design of a multi-epitope vaccine targeting DENV-1 and DENV-3

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DIDeepthi IshwarSPShruthi PadavuMKManish Kumar

Key Points

  • This research aims to design a multi-epitope vaccine targeting DENV-1 and DENV-3 co-infections.
  • Utilized non-structural protein 1 (NS1) and envelope protein (E) as key antigens.
  • Predicted B cell and T cell epitopes for immunogenicity and antigenicity.
  • Conducted molecular docking and dynamics simulations to assess binding stability.
  • Cloned the optimized sequence into a specific expression vector for validation.
  • Final vaccine construct showed strong predicted stability and non-allergenicity.
  • Demonstrated significant B and T cell memory responses in immune simulations.
  • Increased levels of IgG, IFN-γ, and TGF-β indicated effective immune activation.
  • Molecular dynamics revealed stable interactions between the receptor and vaccine.

Abstract

Abstract The co-infection of DENV-1 and DENV-3 during endemic outbreaks can be potentially fatal and complicate the diagnostic process. In our study, we have focused on the development of a multiepitope vaccine against DENV-1 and DENV-3 co-infection, utilizing non-structural protein 1 (NS1) and envelope protein (E) as key antigens. B cell and T cell epitopes were predicted for their immunogenicity, antigenicity, and ability to elicit an IFN-γ response. The final construct showed predicted stability (Instability Index: 30.63), antigenicity (0.5509), non-allergenicity, and hydrophilic character (GRAVY: −0.226) based on computational assessments. Tertiary structural validation revealed 90.1% of residues in a favoured region. Molecular docking revealed a stronger binding of the DENV-TLR3 complex. The receptor and vaccine have stable interactions, according to molecular dynamics simulations and free energy estimations (-90 kJ/mol). Strong B and T cell memory responses were demonstrated by immune simulations, accompanied by increased levels of IgG, IFN-γ, and TGF-β. The codon-optimized sequence was successfully cloned into the pcDNA™3.1/V5-His-TOPO ® expression vector for potential experimental validation. As a result of this in silico approach, a targeted vaccine for DENV-1 and DENV-3 co-infections is possible, which merits further experimental evaluation.

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Cite This Study

Ishwar et al. (2026) studied this question.

synapsesocial.com/papers/696c79cde45ebfc9113cd4d3https://doi.org/10.1038/s41598-026-35678-0
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