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<p>Co-infections involving <i>human metapneumovirus</i> (<i>hMPV</i>), <i>respiratory syncytial virus</i> (<i>RSV</i>), and <i>influenza A virus</i> (<i>IAV</i>) often exacerbate disease severity in vulnerable populations. Here, we employed a structure-based immunoinformatics approach to design a multi-epitope subunit vaccine targeting these pathogens. The construct incorporated two epitopes each for cytotoxic T lymphocytes (CTLs), helper T lymphocytes (HTLs), and B cells, derived from the fusion proteins of <i>hMPV</i> and <i>RSV</i>, as well as the neuraminidase protein of <i>IAV</i>. These epitopes were linked with an adjuvant and optimized spacers to enhance immunogenicity and structural stability. Structural modeling confirmed correct folding, and molecular docking predicted a stable interaction with Toll-Like Receptor 4 (TLR4) − 277.43&#xa0;kcal/mol. Molecular dynamics simulations indicated a compact and stable complex with restricted conformational motions, while MM/GBSA analysis yielded a favorable binding free energy (–121.72&#xa0;kcal/mol) dominated by electrostatic and van der Waals interactions. Immune simulations predicted strong humoral and cellular responses, including high antibody titers, IFN-γ and IL-2 production, and durable memory formation. Codon optimization achieved a codon adaptation index (CAI) of 0.98 and a GC content of 51.24%, suggesting efficient expression in <i>Escherichia coli</i>. These findings highlight the construct as a structurally stable, immunogenic, and expression-ready vaccine candidate, warranting experimental validation against <i>hMPV</i>, <i>RSV</i>, and <i>IAV</i>.</p>

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Immunoinformatics based designing of a broad-spectrum multi-epitope vaccine against co-infection of human metapneumovirus, respiratory syncytial virus, and influenza A virus

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年2月23日

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  • Lu Li,
  • Yong Chen,
  • Shaoyong Wu,
  • Chunyan Wu,
  • Junhong Xie,
  • Abdullah Shah,
  • Xin Xie,
  • Junyin Tan,
  • Yudie Qin,
  • Yuanlei Zeng,
  • Amin Ullah Jan,
  • Tianci Yang,
  • Sadeeq Ullah

摘要

Co-infections involving human metapneumovirus (hMPV), respiratory syncytial virus (RSV), and influenza A virus (IAV) often exacerbate disease severity in vulnerable populations. Here, we employed a structure-based immunoinformatics approach to design a multi-epitope subunit vaccine targeting these pathogens. The construct incorporated two epitopes each for cytotoxic T lymphocytes (CTLs), helper T lymphocytes (HTLs), and B cells, derived from the fusion proteins of hMPV and RSV, as well as the neuraminidase protein of IAV. These epitopes were linked with an adjuvant and optimized spacers to enhance immunogenicity and structural stability. Structural modeling confirmed correct folding, and molecular docking predicted a stable interaction with Toll-Like Receptor 4 (TLR4) − 277.43 kcal/mol. Molecular dynamics simulations indicated a compact and stable complex with restricted conformational motions, while MM/GBSA analysis yielded a favorable binding free energy (–121.72 kcal/mol) dominated by electrostatic and van der Waals interactions. Immune simulations predicted strong humoral and cellular responses, including high antibody titers, IFN-γ and IL-2 production, and durable memory formation. Codon optimization achieved a codon adaptation index (CAI) of 0.98 and a GC content of 51.24%, suggesting efficient expression in Escherichia coli. These findings highlight the construct as a structurally stable, immunogenic, and expression-ready vaccine candidate, warranting experimental validation against hMPV, RSV, and IAV.