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Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants
Abstract
The genome feature of SARS-CoV-2 leads the virus to mutate and creates new variants of concern. Tackling viral mutations is also an important challenge for the development of a new vaccine. Accordingly, in the present study, we undertook to identify B- and T-cell epitopes with immunogenic potential for eliciting responses to SARS-CoV-2, using computational approaches and its tailoring to coronavirus variants. A total of 47 novel epitopes were identified as immunogenic triggering immune responses and no toxic after investigation with in silico tools. Furthermore, we found these peptide vaccine candidates showed a significant binding affinity for MHC I and MHC II alleles in molecular docking investigations. We consider them to be promising targets for developing peptide-based vaccines against SARS-CoV-2. Subsequently, we designed two efficient multi-epitopes vaccines against the SARS-CoV-2, the first one based on potent MHC class I and class II T-cell epitopes of S (FPNITNLCPF–NYNYLYRLFR–MFVFLVLLPLVSSQC), M (MWLSYFIASF–GLMWLSYFIASFRLF), E (LTALRLCAY–LLFLAFVVFLLVTLA), and N (SPRWYFYYL–AQFAPSASAFFGMSR). The second candidate is the result of the tailoring of the first designed vaccine according to three classes of SARS-CoV-2 variants. Molecular docking showed that the protein-protein binding interactions between the vaccines construct and TLR2–TLR4 immune receptors are stable complexes. These findings confirmed that the final multi-epitope vaccine could be easily adapted to new viral variants. Our study offers a shortlist of promising epitopes that can accelerate the development of an effective and safe vaccine against the virus and its adaptation to new variants.
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Authors (11)
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Wahiba Ezzemani
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Anass Kettani
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Hicham El Ossmani
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Kyoko Tsukiyama-Kohara
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Haya Altawalah
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Rachid Saile
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Michinori Kohara
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Soumaya Benjelloun
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Sayeh Ezzikouri
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Keywords
Details
- Category:
- Articles
- Type:
- artykuły w czasopismach
- Published in:
-
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
no. 41,
pages 4917 - 4938,
ISSN: 0739-1102 - Language:
- English
- Publication year:
- 2023
- Bibliographic description:
- Ezzemani W., Kettani A., Sappati S., Kondaka K., El Ossmani H., Tsukiyama-Kohara K., Altawalah H., Saile R., Kohara M., Benjelloun S., Ezzikouri S.: Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants// JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS -Vol. 41,iss. 11 (2023), s.4917-4938
- DOI:
- Digital Object Identifier (open in new tab) 10.1080/07391102.2022.2075468
- Sources of funding:
-
- Free publication
- Verified by:
- Gdańsk University of Technology
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