Immunoinformatics approaches in developing a novel multi-epitope chimeric vaccine protective against Saprolegnia parasitica
Abstract Saprolegnia parasitica is responsible for devastating infections in fish and poses a tremendous threat to the global aquaculture industry. Presently, no safe and effective control measures are available, on the contrary, use of banned toxic compounds against the pathogen is affecting humans...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2024-01-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-024-52223-z |
| _version_ | 1826803559095599104 |
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| author | Abhigyan Choudhury Pawan Kumar Hiba-Allah Nafidi Khalid S. Almaary Gezahign Fentahun Wondmie Ajit Kumar Mohammed Bourhia |
| author_facet | Abhigyan Choudhury Pawan Kumar Hiba-Allah Nafidi Khalid S. Almaary Gezahign Fentahun Wondmie Ajit Kumar Mohammed Bourhia |
| author_sort | Abhigyan Choudhury |
| collection | DOAJ |
| description | Abstract Saprolegnia parasitica is responsible for devastating infections in fish and poses a tremendous threat to the global aquaculture industry. Presently, no safe and effective control measures are available, on the contrary, use of banned toxic compounds against the pathogen is affecting humans via biomagnification routes. This pioneering study aims to design an effective multi-epitope multi-target vaccine candidate against S. parasitica by targeting key proteins involved in the infection process. The proteins were analyzed and linear B-cell epitopes, MHC class I, and class II epitopes were predicted. Subsequently, highly antigenic epitopes were selected and fused to a highly immunogenic adjuvant, 50S ribosomal protein L7/L12, to design a multi-epitope chimeric vaccine construct. The structure of the vaccine was generated and validated for its stereochemical quality, physicochemical properties, antigenicity, allergenicity, and virulence traits. Molecular docking analyses demonstrated strong binding interactions between the vaccine and piscine immune receptors (TLR5, MHC I, MHC II). Molecular dynamics simulations and binding energy calculations of the complexes, further, reflected the stability and favorable interactions of the vaccine and predicted its cytosolic stability. Immune simulations predicted robust and consistent kinetics of the immune response elicited by the vaccine. The study posits the vaccine as a promising solution to combat saprolegniasis in the aquaculture industry. |
| first_indexed | 2024-03-07T15:30:13Z |
| format | Article |
| id | doaj.art-efb7327ef78849adad66c45b129e9dac |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2025-03-17T01:40:35Z |
| publishDate | 2024-01-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-efb7327ef78849adad66c45b129e9dac2025-02-16T12:31:53ZengNature PortfolioScientific Reports2045-23222024-01-0114111310.1038/s41598-024-52223-zImmunoinformatics approaches in developing a novel multi-epitope chimeric vaccine protective against Saprolegnia parasiticaAbhigyan Choudhury0Pawan Kumar1Hiba-Allah Nafidi2Khalid S. Almaary3Gezahign Fentahun Wondmie4Ajit Kumar5Mohammed Bourhia6Independent ResearcherToxicology and Computational Biology Group, Centre for Bioinformatics, Maharshi Dayanand UniversityDepartment of Food Science, Faculty of Agricultural and Food Sciences, Laval UniversityDepartment of Botany and Microbiology, College of Science, King Saud UniversityDepartment of Biology, Bahir Dar UniversityToxicology and Computational Biology Group, Centre for Bioinformatics, Maharshi Dayanand UniversityDepartment of Chemistry and Biochemistry, Faculty of Medicine and Pharmacy, Ibn Zohr UniversityAbstract Saprolegnia parasitica is responsible for devastating infections in fish and poses a tremendous threat to the global aquaculture industry. Presently, no safe and effective control measures are available, on the contrary, use of banned toxic compounds against the pathogen is affecting humans via biomagnification routes. This pioneering study aims to design an effective multi-epitope multi-target vaccine candidate against S. parasitica by targeting key proteins involved in the infection process. The proteins were analyzed and linear B-cell epitopes, MHC class I, and class II epitopes were predicted. Subsequently, highly antigenic epitopes were selected and fused to a highly immunogenic adjuvant, 50S ribosomal protein L7/L12, to design a multi-epitope chimeric vaccine construct. The structure of the vaccine was generated and validated for its stereochemical quality, physicochemical properties, antigenicity, allergenicity, and virulence traits. Molecular docking analyses demonstrated strong binding interactions between the vaccine and piscine immune receptors (TLR5, MHC I, MHC II). Molecular dynamics simulations and binding energy calculations of the complexes, further, reflected the stability and favorable interactions of the vaccine and predicted its cytosolic stability. Immune simulations predicted robust and consistent kinetics of the immune response elicited by the vaccine. The study posits the vaccine as a promising solution to combat saprolegniasis in the aquaculture industry.https://doi.org/10.1038/s41598-024-52223-z |
| spellingShingle | Abhigyan Choudhury Pawan Kumar Hiba-Allah Nafidi Khalid S. Almaary Gezahign Fentahun Wondmie Ajit Kumar Mohammed Bourhia Immunoinformatics approaches in developing a novel multi-epitope chimeric vaccine protective against Saprolegnia parasitica Scientific Reports |
| title | Immunoinformatics approaches in developing a novel multi-epitope chimeric vaccine protective against Saprolegnia parasitica |
| title_full | Immunoinformatics approaches in developing a novel multi-epitope chimeric vaccine protective against Saprolegnia parasitica |
| title_fullStr | Immunoinformatics approaches in developing a novel multi-epitope chimeric vaccine protective against Saprolegnia parasitica |
| title_full_unstemmed | Immunoinformatics approaches in developing a novel multi-epitope chimeric vaccine protective against Saprolegnia parasitica |
| title_short | Immunoinformatics approaches in developing a novel multi-epitope chimeric vaccine protective against Saprolegnia parasitica |
| title_sort | immunoinformatics approaches in developing a novel multi epitope chimeric vaccine protective against saprolegnia parasitica |
| url | https://doi.org/10.1038/s41598-024-52223-z |
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