In Silico design of a multi-epitope vaccine for Human Parechovirus: Integrating immunoinformatics and computational techniques.

Autor: Sarker A; Department of Biochemistry and Molecular Biology, University of Rajshahi, Rajshahi, Bangladesh.; Bioinformatics and Structural Biology Lab, Department of Biochemistry and Molecular Biology, University of Rajshahi, Rajshahi, Bangladesh., Rahman MM; Department of Biochemistry and Molecular Biology, University of Rajshahi, Rajshahi, Bangladesh.; Bioinformatics and Structural Biology Lab, Department of Biochemistry and Molecular Biology, University of Rajshahi, Rajshahi, Bangladesh., Khatun C; Department of Biochemistry and Molecular Biology, University of Rajshahi, Rajshahi, Bangladesh.; Bioinformatics and Structural Biology Lab, Department of Biochemistry and Molecular Biology, University of Rajshahi, Rajshahi, Bangladesh., Barai C; Department of Biochemistry and Molecular Biology, University of Rajshahi, Rajshahi, Bangladesh.; Bioinformatics and Structural Biology Lab, Department of Biochemistry and Molecular Biology, University of Rajshahi, Rajshahi, Bangladesh., Roy N; Department of Biochemistry and Molecular Biology, University of Rajshahi, Rajshahi, Bangladesh., Aziz MA; Department of Biochemistry and Molecular Biology, University of Rajshahi, Rajshahi, Bangladesh.; Bioinformatics and Structural Biology Lab, Department of Biochemistry and Molecular Biology, University of Rajshahi, Rajshahi, Bangladesh., Faruqe MO; Department of Computer Science and Engineering, University of Rajshahi, Rajshahi, Bangladesh., Hossain MT; Department of Biochemistry and Molecular Biology, University of Rajshahi, Rajshahi, Bangladesh.; Bioinformatics and Structural Biology Lab, Department of Biochemistry and Molecular Biology, University of Rajshahi, Rajshahi, Bangladesh.
Jazyk: angličtina
Zdroj: PloS one [PLoS One] 2024 Dec 04; Vol. 19 (12), pp. e0302120. Date of Electronic Publication: 2024 Dec 04 (Print Publication: 2024).
DOI: 10.1371/journal.pone.0302120
Abstrakt: Human parechovirus (HPeV) is widely recognized as a severe viral infection affecting infants and neonates. Belonging to the Picornaviridae family, HPeV is categorized into 19 distinct genotypes. Among them, HPeV-1 is the most prevalent genotype, primarily associated with respiratory and digestive symptoms. Considering HPeV's role as a leading cause of life-threatening viral infections in infants and the lack of effective antiviral therapies, our focus centered on developing two multi-epitope vaccines, namely HPeV-Vax-1 and HPeV-Vax-2, using advanced immunoinformatic techniques. Multi-epitope vaccines have the advantage of protecting against various virus strains and may be preferable to live attenuated vaccines. Using the NCBI database, three viral protein sequences (VP0, VP1, and VP3) from six HPeV strains were collected to construct consensus protein sequences. Then the antigenicity, toxicity, allergenicity, and stability were analyzed after discovering T-cell and linear B-cell epitopes from the protein sequences. The fundamental structures of the vaccines were produced by fusing the selected epitopes with appropriate linkers and adjuvants. Comprehensive physicochemical, antigenic, allergic assays, and disulfide engineering demonstrated the effectiveness of the vaccines. Further refinement of secondary and tertiary models for both vaccines revealed promising interactions with toll-like receptor 4 (TLR4) in molecular docking, further confirmed by molecular dynamics simulation. In silico immunological modeling was employed to assess the vaccine's capacity to stimulate an immune reaction. In silico immunological simulations were employed to evaluate the vaccines' ability to trigger an immune response. Codon optimization and in silico cloning analyses showed that Escherichia coli (E. coli) was most likely the host for the candidate vaccines. Our findings suggest that these multi-epitope vaccines could be the potential HPeV vaccines and are recommended for further wet-lab investigation.
Competing Interests: The authors have declared that no competing interests exist.
(Copyright: © 2024 Sarker et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.)
Databáze: MEDLINE
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