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<p>Human Immunodeficiency Virus (HIV) remains a persistent global health issue, and no vaccine is yet available to provide long-term protection. In this study, an integrated immunoinformatic and reverse vaccinology approach was applied to design a multi-epitope subunit vaccine against the HIV-1 envelope glycoprotein (Env), a key surface antigen required for host cell entry. The final construct comprised 5 B-cell, 14 MHC-I, and 30 MHC-II epitopes, joined with suitable linkers and joined to the 50&#xa0;S ribosomal protein L7/L12 adjuvant to promote immunogenicity. The vaccine was predicted to be antigenic, non-allergenic, and non-toxic, had good physicochemical properties and solubility, which supported its potential safety and immunogenicity. Structural modeling and refinement demonstrated a stable 3D structure, with 84.3% of the residues in preferred areas of the Ramachandran plot. Molecular docking with the CCR5 receptor indicated a strong binding and stability over time, which was shown by multiple hydrogen bonds and non-bond contacts. In addition to this, molecular dynamics simulations showed that the vaccine-receptor complex was stable through RMSD, RMSF, SASA, Rg, and H-bond analysis. Importantly, the in silico immune simulations indicated that the vaccine could engage the immune system by evaluating predicted levels of immunoglobulins, memory, and cytokines, potentially leading to a strong and long-lasting immune response. Overall, this multi-epitope construct provides some promise as a new HIV vaccine candidate and warrants experimental testing.</p>

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Design of a novel multi-epitope-based vaccine against HIV using an immunoinformatic approach

  • 期刊论文

  • 发表日期：

    2025年11月11日

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  • Manan Gajjar,
  • Mayank Gajjar,
  • Meet Desai,
  • Feni Desai,
  • Dhyey Patel,
  • Bhumi M. Shah

摘要

Human Immunodeficiency Virus (HIV) remains a persistent global health issue, and no vaccine is yet available to provide long-term protection. In this study, an integrated immunoinformatic and reverse vaccinology approach was applied to design a multi-epitope subunit vaccine against the HIV-1 envelope glycoprotein (Env), a key surface antigen required for host cell entry. The final construct comprised 5 B-cell, 14 MHC-I, and 30 MHC-II epitopes, joined with suitable linkers and joined to the 50 S ribosomal protein L7/L12 adjuvant to promote immunogenicity. The vaccine was predicted to be antigenic, non-allergenic, and non-toxic, had good physicochemical properties and solubility, which supported its potential safety and immunogenicity. Structural modeling and refinement demonstrated a stable 3D structure, with 84.3% of the residues in preferred areas of the Ramachandran plot. Molecular docking with the CCR5 receptor indicated a strong binding and stability over time, which was shown by multiple hydrogen bonds and non-bond contacts. In addition to this, molecular dynamics simulations showed that the vaccine-receptor complex was stable through RMSD, RMSF, SASA, Rg, and H-bond analysis. Importantly, the in silico immune simulations indicated that the vaccine could engage the immune system by evaluating predicted levels of immunoglobulins, memory, and cytokines, potentially leading to a strong and long-lasting immune response. Overall, this multi-epitope construct provides some promise as a new HIV vaccine candidate and warrants experimental testing.