Mining of Marburg Virus Proteome for Designing an Epitope-Based Vaccine
Marburg virus (MARV) is one of the most harmful zoonotic viruses with deadly effects on both humans and nonhuman primates. Because of its severe outbreaks with a high rate of fatality, the world health organization put it as a risk group 4 pathogen and focused on the urgent need for the development...
| Main Authors: | , , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2022-07-01
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| Series: | Frontiers in Immunology |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fimmu.2022.907481/full |
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| author | Mohamed A. Soltan Waleed K. Abdulsahib Mahmoud Amer Ahmed M. Refaat Alaa A. Bagalagel Reem M. Diri Sarah Albogami Eman Fayad Refaat A. Eid Sherin M. A. Sharaf Sameh S. Elhady Khaled M. Darwish Muhammad Alaa Eldeen |
| author_facet | Mohamed A. Soltan Waleed K. Abdulsahib Mahmoud Amer Ahmed M. Refaat Alaa A. Bagalagel Reem M. Diri Sarah Albogami Eman Fayad Refaat A. Eid Sherin M. A. Sharaf Sameh S. Elhady Khaled M. Darwish Muhammad Alaa Eldeen |
| author_sort | Mohamed A. Soltan |
| collection | DOAJ |
| description | Marburg virus (MARV) is one of the most harmful zoonotic viruses with deadly effects on both humans and nonhuman primates. Because of its severe outbreaks with a high rate of fatality, the world health organization put it as a risk group 4 pathogen and focused on the urgent need for the development of effective solutions against that virus. However, up to date, there is no effective vaccine against MARV in the market. In the current study, the complete proteome of MARV (seven proteins) was analyzed for the antigenicity score and the virulence or physiological role of each protein where we nominated envelope glycoprotein (Gp), Transcriptional activator (VP30), and membrane-associated protein (VP24) as the candidates for epitope prediction. Following that, a vaccine construct was designed based on CTL, HTL, and BCL epitopes of the selected protein candidates and to finalize the vaccine construct, several amino acid linkers, β-defensin adjuvant, and PADRE peptides were incorporated. The generated potential vaccine was assessed computationally for several properties such as antigenicity, allergenicity, stability, and other structural features where the outcomes of these assessments nominated this potential vaccine to be validated for its binding affinity with two molecular targets TLR-8 and TLR-4. The binding score and the stability of the vaccine-receptor complex, which was deeply studied through molecular docking-coupled dynamics simulation, supported the selection of our designed vaccine as a putative solution for MARV that should be validated through future wet-lab experiments. Here, we describe the computational approach for designing and analysis of this potential vaccine. |
| first_indexed | 2024-12-11T16:58:26Z |
| format | Article |
| id | doaj.art-ee5043e888ce425cbd26dfeccf76ef88 |
| institution | Directory Open Access Journal |
| issn | 1664-3224 |
| language | English |
| last_indexed | 2024-12-11T16:58:26Z |
| publishDate | 2022-07-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Immunology |
| spelling | doaj.art-ee5043e888ce425cbd26dfeccf76ef882022-12-22T00:57:55ZengFrontiers Media S.A.Frontiers in Immunology1664-32242022-07-011310.3389/fimmu.2022.907481907481Mining of Marburg Virus Proteome for Designing an Epitope-Based VaccineMohamed A. Soltan0Waleed K. Abdulsahib1Mahmoud Amer2Ahmed M. Refaat3Alaa A. Bagalagel4Reem M. Diri5Sarah Albogami6Eman Fayad7Refaat A. Eid8Sherin M. A. Sharaf9Sameh S. Elhady10Khaled M. Darwish11Muhammad Alaa Eldeen12Department of Microbiology and Immunology, Faculty of Pharmacy, Sinai University, Ismailia, EgyptDepartment of pharmacology and Toxicology, College of Pharmacy, Al- Farahidi University, Baghdad, IraqInternal Medicine Department, Faculty of Medicine, Zagazig University, Zagazig, EgyptZoology Department, Faculty of Science, Minia University, El-Minia, EgyptDepartment of Pharmacy Practice, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi ArabiaDepartment of Pharmacy Practice, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi ArabiaDepartment of Biotechnology, College of Science, Taif University, Taif, Saudi ArabiaDepartment of Biotechnology, College of Science, Taif University, Taif, Saudi ArabiaDepartment of Pathology, College of Medicine, King Khalid University, Abha, Saudi ArabiaDepartment of Microbiology, Egyptian Drug Authority (EDA), Giza, EgyptDepartment of Natural Products, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia0Department of Medicinal Chemistry, Faculty of Pharmacy, Suez Canal University, Ismailia, Egypt1Cell Biology, Histology and Genetics Division, Zoology Department, Faculty of Science, Zagazig University, Zagazig, EgyptMarburg virus (MARV) is one of the most harmful zoonotic viruses with deadly effects on both humans and nonhuman primates. Because of its severe outbreaks with a high rate of fatality, the world health organization put it as a risk group 4 pathogen and focused on the urgent need for the development of effective solutions against that virus. However, up to date, there is no effective vaccine against MARV in the market. In the current study, the complete proteome of MARV (seven proteins) was analyzed for the antigenicity score and the virulence or physiological role of each protein where we nominated envelope glycoprotein (Gp), Transcriptional activator (VP30), and membrane-associated protein (VP24) as the candidates for epitope prediction. Following that, a vaccine construct was designed based on CTL, HTL, and BCL epitopes of the selected protein candidates and to finalize the vaccine construct, several amino acid linkers, β-defensin adjuvant, and PADRE peptides were incorporated. The generated potential vaccine was assessed computationally for several properties such as antigenicity, allergenicity, stability, and other structural features where the outcomes of these assessments nominated this potential vaccine to be validated for its binding affinity with two molecular targets TLR-8 and TLR-4. The binding score and the stability of the vaccine-receptor complex, which was deeply studied through molecular docking-coupled dynamics simulation, supported the selection of our designed vaccine as a putative solution for MARV that should be validated through future wet-lab experiments. Here, we describe the computational approach for designing and analysis of this potential vaccine.https://www.frontiersin.org/articles/10.3389/fimmu.2022.907481/fullMarburg virusimmunoinformaticsepitope mappingmultitope vaccinehealth care |
| spellingShingle | Mohamed A. Soltan Waleed K. Abdulsahib Mahmoud Amer Ahmed M. Refaat Alaa A. Bagalagel Reem M. Diri Sarah Albogami Eman Fayad Refaat A. Eid Sherin M. A. Sharaf Sameh S. Elhady Khaled M. Darwish Muhammad Alaa Eldeen Mining of Marburg Virus Proteome for Designing an Epitope-Based Vaccine Frontiers in Immunology Marburg virus immunoinformatics epitope mapping multitope vaccine health care |
| title | Mining of Marburg Virus Proteome for Designing an Epitope-Based Vaccine |
| title_full | Mining of Marburg Virus Proteome for Designing an Epitope-Based Vaccine |
| title_fullStr | Mining of Marburg Virus Proteome for Designing an Epitope-Based Vaccine |
| title_full_unstemmed | Mining of Marburg Virus Proteome for Designing an Epitope-Based Vaccine |
| title_short | Mining of Marburg Virus Proteome for Designing an Epitope-Based Vaccine |
| title_sort | mining of marburg virus proteome for designing an epitope based vaccine |
| topic | Marburg virus immunoinformatics epitope mapping multitope vaccine health care |
| url | https://www.frontiersin.org/articles/10.3389/fimmu.2022.907481/full |
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