Computational formulation of a multiepitope vaccine unveils an exceptional prophylactic candidate against Merkel cell polyomavirus
<p dir="ltr">Merkel cell carcinoma (MCC) is a rare neuroendocrine skin malignancy caused by human Merkel cell polyomavirus (MCV), leading to the most aggressive skin cancer in humans. MCV has been identified in approximately 43%–100% of MCC cases, contributing to the highly aggressiv...
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| مؤلفون آخرون: | , , , , , , |
| منشور في: |
2023
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| _version_ | 1864513508074323968 |
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| author | Raihan Rahman Imon (9286530) |
| author2 | Abdus Samad (4388131) Rahat Alam (9286527) Ahad Amer Alsaiari (13902165) Md. Enamul Kabir Talukder (15219826) Mazen Almehmadi (10047618) Foysal Ahammad (9286524) Farhan Mohammad (256409) |
| author2_role | author author author author author author author |
| author_facet | Raihan Rahman Imon (9286530) Abdus Samad (4388131) Rahat Alam (9286527) Ahad Amer Alsaiari (13902165) Md. Enamul Kabir Talukder (15219826) Mazen Almehmadi (10047618) Foysal Ahammad (9286524) Farhan Mohammad (256409) |
| author_role | author |
| dc.creator.none.fl_str_mv | Raihan Rahman Imon (9286530) Abdus Samad (4388131) Rahat Alam (9286527) Ahad Amer Alsaiari (13902165) Md. Enamul Kabir Talukder (15219826) Mazen Almehmadi (10047618) Foysal Ahammad (9286524) Farhan Mohammad (256409) |
| dc.date.none.fl_str_mv | 2023-06-27T09:00:00Z |
| dc.identifier.none.fl_str_mv | 10.3389/fimmu.2023.1160260 |
| dc.relation.none.fl_str_mv | https://figshare.com/articles/journal_contribution/Computational_formulation_of_a_multiepitope_vaccine_unveils_an_exceptional_prophylactic_candidate_against_Merkel_cell_polyomavirus/26661565 |
| dc.rights.none.fl_str_mv | CC BY 4.0 info:eu-repo/semantics/openAccess |
| dc.subject.none.fl_str_mv | Biological sciences Genetics Biomedical and clinical sciences Immunology Oncology and carcinogenesis Merkel cell polyomavirus (MCV) Merkel cell carcinomas (MCC) immunoinformatics vaccine design multiepitope vaccine molecular dynamics simulation (MD) molecular docking |
| dc.title.none.fl_str_mv | Computational formulation of a multiepitope vaccine unveils an exceptional prophylactic candidate against Merkel cell polyomavirus |
| dc.type.none.fl_str_mv | Text Journal contribution info:eu-repo/semantics/publishedVersion text contribution to journal |
| description | <p dir="ltr">Merkel cell carcinoma (MCC) is a rare neuroendocrine skin malignancy caused by human Merkel cell polyomavirus (MCV), leading to the most aggressive skin cancer in humans. MCV has been identified in approximately 43%–100% of MCC cases, contributing to the highly aggressive nature of primary cutaneous carcinoma and leading to a notable mortality rate. Currently, no existing vaccines or drug candidates have shown efficacy in addressing the ailment caused by this specific pathogen. Therefore, this study aimed to design a novel multiepitope vaccine candidate against the virus using integrated immunoinformatics and vaccinomics approaches. Initially, the highest antigenic, immunogenic, and non-allergenic epitopes of cytotoxic T lymphocytes, helper T lymphocytes, and linear B lymphocytes corresponding to the virus whole protein sequences were identified and retrieved for vaccine construction. Subsequently, the selected epitopes were linked with appropriate linkers and added an adjuvant in front of the construct to enhance the immunogenicity of the vaccine candidates. Additionally, molecular docking and dynamics simulations identified strong and stable binding interactions between vaccine candidates and human Toll-like receptor 4. Furthermore, computer-aided immune simulation found the real-life-like immune response of vaccine candidates upon administration to the human body. Finally, codon optimization was conducted on the vaccine candidates to facilitate the in silico cloning of the vaccine into the pET28+(a) cloning vector. In conclusion, the vaccine candidate developed in this study is anticipated to augment the immune response in humans and effectively combat the virus. Nevertheless, it is imperative to conduct <i>in vitro</i> and <i>in vivo</i> assays to evaluate the efficacy of these vaccine candidates thoroughly. These evaluations will provide critical insights into the vaccine’s effectiveness and potential for further development.</p><h2>Other Information</h2><p dir="ltr">Published in: Frontiers in Immunology<br>License: <a href="https://creativecommons.org/licenses/by/4.0/" target="_blank">https://creativecommons.org/licenses/by/4.0/</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.3389/fimmu.2023.1160260" target="_blank">https://dx.doi.org/10.3389/fimmu.2023.1160260</a></p> |
| eu_rights_str_mv | openAccess |
| id | Manara2_a929cc929dbe7db3ad767ecd2e290db4 |
| identifier_str_mv | 10.3389/fimmu.2023.1160260 |
| network_acronym_str | Manara2 |
| network_name_str | Manara2 |
| oai_identifier_str | oai:figshare.com:article/26661565 |
| publishDate | 2023 |
| repository.mail.fl_str_mv | |
| repository.name.fl_str_mv | |
| repository_id_str | |
| rights_invalid_str_mv | CC BY 4.0 |
| spelling | Computational formulation of a multiepitope vaccine unveils an exceptional prophylactic candidate against Merkel cell polyomavirusRaihan Rahman Imon (9286530)Abdus Samad (4388131)Rahat Alam (9286527)Ahad Amer Alsaiari (13902165)Md. Enamul Kabir Talukder (15219826)Mazen Almehmadi (10047618)Foysal Ahammad (9286524)Farhan Mohammad (256409)Biological sciencesGeneticsBiomedical and clinical sciencesImmunologyOncology and carcinogenesisMerkel cell polyomavirus (MCV)Merkel cell carcinomas (MCC)immunoinformaticsvaccine designmultiepitope vaccinemolecular dynamics simulation (MD)molecular docking<p dir="ltr">Merkel cell carcinoma (MCC) is a rare neuroendocrine skin malignancy caused by human Merkel cell polyomavirus (MCV), leading to the most aggressive skin cancer in humans. MCV has been identified in approximately 43%–100% of MCC cases, contributing to the highly aggressive nature of primary cutaneous carcinoma and leading to a notable mortality rate. Currently, no existing vaccines or drug candidates have shown efficacy in addressing the ailment caused by this specific pathogen. Therefore, this study aimed to design a novel multiepitope vaccine candidate against the virus using integrated immunoinformatics and vaccinomics approaches. Initially, the highest antigenic, immunogenic, and non-allergenic epitopes of cytotoxic T lymphocytes, helper T lymphocytes, and linear B lymphocytes corresponding to the virus whole protein sequences were identified and retrieved for vaccine construction. Subsequently, the selected epitopes were linked with appropriate linkers and added an adjuvant in front of the construct to enhance the immunogenicity of the vaccine candidates. Additionally, molecular docking and dynamics simulations identified strong and stable binding interactions between vaccine candidates and human Toll-like receptor 4. Furthermore, computer-aided immune simulation found the real-life-like immune response of vaccine candidates upon administration to the human body. Finally, codon optimization was conducted on the vaccine candidates to facilitate the in silico cloning of the vaccine into the pET28+(a) cloning vector. In conclusion, the vaccine candidate developed in this study is anticipated to augment the immune response in humans and effectively combat the virus. Nevertheless, it is imperative to conduct <i>in vitro</i> and <i>in vivo</i> assays to evaluate the efficacy of these vaccine candidates thoroughly. These evaluations will provide critical insights into the vaccine’s effectiveness and potential for further development.</p><h2>Other Information</h2><p dir="ltr">Published in: Frontiers in Immunology<br>License: <a href="https://creativecommons.org/licenses/by/4.0/" target="_blank">https://creativecommons.org/licenses/by/4.0/</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.3389/fimmu.2023.1160260" target="_blank">https://dx.doi.org/10.3389/fimmu.2023.1160260</a></p>2023-06-27T09:00:00ZTextJournal contributioninfo:eu-repo/semantics/publishedVersiontextcontribution to journal10.3389/fimmu.2023.1160260https://figshare.com/articles/journal_contribution/Computational_formulation_of_a_multiepitope_vaccine_unveils_an_exceptional_prophylactic_candidate_against_Merkel_cell_polyomavirus/26661565CC BY 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/266615652023-06-27T09:00:00Z |
| spellingShingle | Computational formulation of a multiepitope vaccine unveils an exceptional prophylactic candidate against Merkel cell polyomavirus Raihan Rahman Imon (9286530) Biological sciences Genetics Biomedical and clinical sciences Immunology Oncology and carcinogenesis Merkel cell polyomavirus (MCV) Merkel cell carcinomas (MCC) immunoinformatics vaccine design multiepitope vaccine molecular dynamics simulation (MD) molecular docking |
| status_str | publishedVersion |
| title | Computational formulation of a multiepitope vaccine unveils an exceptional prophylactic candidate against Merkel cell polyomavirus |
| title_full | Computational formulation of a multiepitope vaccine unveils an exceptional prophylactic candidate against Merkel cell polyomavirus |
| title_fullStr | Computational formulation of a multiepitope vaccine unveils an exceptional prophylactic candidate against Merkel cell polyomavirus |
| title_full_unstemmed | Computational formulation of a multiepitope vaccine unveils an exceptional prophylactic candidate against Merkel cell polyomavirus |
| title_short | Computational formulation of a multiepitope vaccine unveils an exceptional prophylactic candidate against Merkel cell polyomavirus |
| title_sort | Computational formulation of a multiepitope vaccine unveils an exceptional prophylactic candidate against Merkel cell polyomavirus |
| topic | Biological sciences Genetics Biomedical and clinical sciences Immunology Oncology and carcinogenesis Merkel cell polyomavirus (MCV) Merkel cell carcinomas (MCC) immunoinformatics vaccine design multiepitope vaccine molecular dynamics simulation (MD) molecular docking |