Designing of an innovative conserved multiepitope subunit vaccine targeting SARS-CoV-2 glycoprotein and nucleoprotein through immunoinformatic
Abstract The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has imposed substantial challenges on our society due to the COVID-19 pandemic. This virus relies heavily on its surface glycoprotein (S-glycoprotein) to facilitate attachment, fusion, and entry into host cells. While the nucl...
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Nature Portfolio
2025-01-01
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| Online Access: | https://doi.org/10.1038/s41598-024-72495-9 |
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| author | Temitope Isaac Adelusi Abdeen Tunde Ogunlana Moyosoluwa Precious Oyewole Taiwo Ooreoluwa Ojo Olamide Tosin Olaoba Elijah Kolawole Oladipo Shopnil Akash Samir Ibenmoussa Mohammed Bourhia Yousef A. Bin Jardan Baye Sitotaw |
| author_facet | Temitope Isaac Adelusi Abdeen Tunde Ogunlana Moyosoluwa Precious Oyewole Taiwo Ooreoluwa Ojo Olamide Tosin Olaoba Elijah Kolawole Oladipo Shopnil Akash Samir Ibenmoussa Mohammed Bourhia Yousef A. Bin Jardan Baye Sitotaw |
| author_sort | Temitope Isaac Adelusi |
| collection | DOAJ |
| description | Abstract The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has imposed substantial challenges on our society due to the COVID-19 pandemic. This virus relies heavily on its surface glycoprotein (S-glycoprotein) to facilitate attachment, fusion, and entry into host cells. While the nucleoprotein (N) in the ribonucleoprotein core binds to the viral RNA genome. Therefore, our objective is to develop a novel vaccine candidate targeting the dominant T-cell and B-cell epitopes of the immune system. On the S-glycoprotein and nucleoprotein. Employing an immunoinformatic approach, we constructed a vaccine candidate with 13 highly antigenic B-cell epitopes, 19 HTL antigenic epitopes, and 18 CTL epitopes following a rigorous assessment. The multi-epitope construct successfully passed three-fold toxicity, allergenicity, and antigenicity tests, affirming its non-toxic, non-allergenic, and antigenic nature. This demonstrates the potentiality of the vaccine design to trigger an immunological response. Furthermore, the vaccine-ACE-2 receptor complex was tested, confirming its ability to interact with ACE-2’s core pocket and induce an immunological response. Additionally, the vaccine’s binding prowess for human toll-like receptors (TLR) (1, 3, 4, and 8) was investigated. According to the Ramachandran plot, 77.46% of the construct’s amino acid residues fall within a favorable zone, establishing it as a viable vaccine candidate. |
| format | Article |
| id | doaj-art-f296d786203e4d679e79e45fc098a1e1 |
| institution | Kabale University |
| issn | 2045-2322 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj-art-f296d786203e4d679e79e45fc098a1e12025-01-26T12:34:20ZengNature PortfolioScientific Reports2045-23222025-01-0115111910.1038/s41598-024-72495-9Designing of an innovative conserved multiepitope subunit vaccine targeting SARS-CoV-2 glycoprotein and nucleoprotein through immunoinformaticTemitope Isaac Adelusi0Abdeen Tunde Ogunlana1Moyosoluwa Precious Oyewole2Taiwo Ooreoluwa Ojo3Olamide Tosin Olaoba4Elijah Kolawole Oladipo5Shopnil Akash6Samir Ibenmoussa7Mohammed Bourhia8Yousef A. Bin Jardan9Baye Sitotaw10Computational Biology and Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of TechnologyComputational Biology and Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of TechnologyComputational Biology and Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of TechnologyComputational Biology and Drug Discovery Laboratory, Department of Biochemistry, Ladoke Akintola University of TechnologyDepartment of Surgery, School of Medicine, University of Connecticut HealthGenomics Unit, Helix Biogen InstituteComputational Biology Research Laboratory, Department of Pharmacy, Daffodil International UniversityLaboratory of Therapeutic and Organic Chemistry, Faculty of Pharmacy, University of MontpellierLaboratory of Biotechnology and Natural Resources Valorization, Faculty of Sciences, Ibn Zohr UniversityDepartment of Pharmaceutics, College of Pharmacy, King Saud UniversityDepartment of Biology, Bahir Dar UniversityAbstract The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has imposed substantial challenges on our society due to the COVID-19 pandemic. This virus relies heavily on its surface glycoprotein (S-glycoprotein) to facilitate attachment, fusion, and entry into host cells. While the nucleoprotein (N) in the ribonucleoprotein core binds to the viral RNA genome. Therefore, our objective is to develop a novel vaccine candidate targeting the dominant T-cell and B-cell epitopes of the immune system. On the S-glycoprotein and nucleoprotein. Employing an immunoinformatic approach, we constructed a vaccine candidate with 13 highly antigenic B-cell epitopes, 19 HTL antigenic epitopes, and 18 CTL epitopes following a rigorous assessment. The multi-epitope construct successfully passed three-fold toxicity, allergenicity, and antigenicity tests, affirming its non-toxic, non-allergenic, and antigenic nature. This demonstrates the potentiality of the vaccine design to trigger an immunological response. Furthermore, the vaccine-ACE-2 receptor complex was tested, confirming its ability to interact with ACE-2’s core pocket and induce an immunological response. Additionally, the vaccine’s binding prowess for human toll-like receptors (TLR) (1, 3, 4, and 8) was investigated. According to the Ramachandran plot, 77.46% of the construct’s amino acid residues fall within a favorable zone, establishing it as a viable vaccine candidate.https://doi.org/10.1038/s41598-024-72495-9Covid-19VaccineImmunoinformaticsSARS-CoV-2Multi-epitopeACE-2 |
| spellingShingle | Temitope Isaac Adelusi Abdeen Tunde Ogunlana Moyosoluwa Precious Oyewole Taiwo Ooreoluwa Ojo Olamide Tosin Olaoba Elijah Kolawole Oladipo Shopnil Akash Samir Ibenmoussa Mohammed Bourhia Yousef A. Bin Jardan Baye Sitotaw Designing of an innovative conserved multiepitope subunit vaccine targeting SARS-CoV-2 glycoprotein and nucleoprotein through immunoinformatic Scientific Reports Covid-19 Vaccine Immunoinformatics SARS-CoV-2 Multi-epitope ACE-2 |
| title | Designing of an innovative conserved multiepitope subunit vaccine targeting SARS-CoV-2 glycoprotein and nucleoprotein through immunoinformatic |
| title_full | Designing of an innovative conserved multiepitope subunit vaccine targeting SARS-CoV-2 glycoprotein and nucleoprotein through immunoinformatic |
| title_fullStr | Designing of an innovative conserved multiepitope subunit vaccine targeting SARS-CoV-2 glycoprotein and nucleoprotein through immunoinformatic |
| title_full_unstemmed | Designing of an innovative conserved multiepitope subunit vaccine targeting SARS-CoV-2 glycoprotein and nucleoprotein through immunoinformatic |
| title_short | Designing of an innovative conserved multiepitope subunit vaccine targeting SARS-CoV-2 glycoprotein and nucleoprotein through immunoinformatic |
| title_sort | designing of an innovative conserved multiepitope subunit vaccine targeting sars cov 2 glycoprotein and nucleoprotein through immunoinformatic |
| topic | Covid-19 Vaccine Immunoinformatics SARS-CoV-2 Multi-epitope ACE-2 |
| url | https://doi.org/10.1038/s41598-024-72495-9 |
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