Designing a multi-epitope vaccine against La Crosse virus using immunoinformatics approach
- 1Faculty of Veterinary, Animal and Biomedical Sciences, Sylhet Agricultural University, Sylhet, Bangladesh
- 2Department of Biochemistry and Molecular Biology, Shahjalal University of Science and Technology, Sylhet, Bangladesh
- 3Department of Medicine, Sylhet Agricultural University, Sylhet, Bangladesh
Abstract
La Crosse virus (LACV) is a mosquito-borne Orthobunyavirus responsible for pediatric encephalitis, with no currently approved vaccine or targeted antiviral therapy. This study aimed to design a multi-epitope subunit vaccine targeting the conserved nucleoprotein of LACV using an integrated immunoinformatics approach. The nucleoprotein exhibited strong antigenicity and favorable physicochemical properties, including stability and hydrophilicity. Highly conserved CTL, HTL, and B-cell epitopes were initially predicted, from which high-affinity, non-allergenic, and non-toxic epitopes were selected. Population coverage analysis revealed extensive global applicability, with MHC class I and II coverage of 98.55% and 81.81%, respectively. Three vaccine constructs (V1, V2 and V3) were developed, while construct V1 demonstrated superior performance, with the highest antigenicity (0.7846) and solubility (0.709). Structural validation confirmed stability, with over 93% of residues in favored regions of the Ramachandran plot. Molecular docking with the TLR8 receptor revealed strong interactions. This was further supported by MD simulations, DCCM analysis, binding free energy calculations, and PCA, all of which confirmed stable binding between the vaccine construct V1 and TLR8, exhibiting a docking score of −1212.6. Molecular dynamics simulations further confirmed stability, with consistent RMSD, stable radius of gyration, and persistent hydrogen bonding (40–60 bonds). Codon optimization demonstrated favorable translational efficiency and confirmed the suitability of the construct V1 for heterologous expression in E. coli. Immune simulation predicted robust humoral and cellular responses, including elevated IgM, IgG, and cytokines. Overall, the proposed vaccine candidate V1 demonstrates strong immunogenic potential and structural stability, warranting further experimental validation for potential clinical application.
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BibTeX
@article{hasnat2026designing,
title = {{Designing a multi-epitope vaccine against La Crosse virus using immunoinformatics approach}},
author = {Md. Shamiron Hasnat and Ahsanul Siddique Saim and Mst. Farhana Akter Sarmin and Probir Mitro and Sabrina Sarker and Md. Hasan Ali and Shalauddin and Omar Faruk Talukder and Md Bashir Uddin},
journal = {PLOS One},
year = {2026},
month = oct,
doi = {10.1371/journal.pone.0359567},
url = {https://doi.org/10.1371/journal.pone.0359567},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - Designing a multi-epitope vaccine against La Crosse virus using immunoinformatics approach
AU - Md. Shamiron Hasnat
AU - Ahsanul Siddique Saim
AU - Mst. Farhana Akter Sarmin
AU - Probir Mitro
AU - Sabrina Sarker
AU - Md. Hasan Ali
AU - Shalauddin
AU - Omar Faruk Talukder
AU - Md Bashir Uddin
PY - 2026
DA - 2026/10/13
JO - PLOS One
DO - 10.1371/journal.pone.0359567
UR - https://doi.org/10.1371/journal.pone.0359567
AB - La Crosse virus (LACV) is a mosquito-borne Orthobunyavirus responsible for pediatric encephalitis, with no currently approved vaccine or targeted antiviral therapy. This study aimed to design a multi-epitope subunit vaccine targeting the conserved nucleoprotein of LACV using an integrated immunoinformatics approach. The nucleoprotein exhibited strong antigenicity and favorable physicochemical properties, including stability and hydrophilicity. Highly conserved CTL, HTL, and B-cell epitopes were initially predicted, from which high-affinity, non-allergenic, and non-toxic epitopes were selected. Population coverage analysis revealed extensive global applicability, with MHC class I and II coverage of 98.55% and 81.81%, respectively. Three vaccine constructs (V1, V2 and V3) were developed, while construct V1 demonstrated superior performance, with the highest antigenicity (0.7846) and solubility (0.709). Structural validation confirmed stability, with over 93% of residues in favored regions of the Ramachandran plot. Molecular docking with the TLR8 receptor revealed strong interactions. This was further supported by MD simulations, DCCM analysis, binding free energy calculations, and PCA, all of which confirmed stable binding between the vaccine construct V1 and TLR8, exhibiting a docking score of −1212.6. Molecular dynamics simulations further confirmed stability, with consistent RMSD, stable radius of gyration, and persistent hydrogen bonding (40–60 bonds). Codon optimization demonstrated favorable translational efficiency and confirmed the suitability of the construct V1 for heterologous expression in E. coli. Immune simulation predicted robust humoral and cellular responses, including elevated IgM, IgG, and cytokines. Overall, the proposed vaccine candidate V1 demonstrates strong immunogenic potential and structural stability, warranting further experimental validation for potential clinical application.
SN - 1932-6203
ER -