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Despite this, there are limited preventive measures available. In this study, different computational tools were employed to design a multi\u2010epitope vaccine targeting MPXV. Three key MPXV proteins, M1R, B6R, and F3L, were chosen for epitope selection, guided by bioinformatic analyses to identify immunodominant epitopes for T\u2010 and B\u2010cell activation. To enhance immune stimulation and facilitate targeted delivery of the vaccine to specific cells, the selected epitopes were linked to novel carriers, including the extracellular domain of cytotoxic T lymphocyte\u2013associated antigen 4 (CTLA\u20104), a 12\u2010mer Clec9a binding peptide (CBP\u201012), and a Toll\u2010like receptor 2 (TLR2) peptide ligand. The designed vaccine construct exhibited strong antigenicity along with nonallergenic and nontoxic properties, with favorable physicochemical characteristics. The validated vaccine's tertiary structure underwent evaluation for interactions with CD80\/86, Clec9a, and TLR2 through molecular docking and molecular dynamics simulation. The results ensured the vaccine's stability and high affinity for the aforementioned receptors. In silico immune simulations studies revealed robust innate and adaptive immune responses, including enhanced mucosal immunity essential for protection against MPXV. Ultimately, the DNA sequence of the vaccine construct was synthesized and successfully cloned into the pET\u201022b(+) vector. Our study, through integration of computational predictions, suggests the proposed vaccine's potential efficacy in safeguarding against MPXV; however, further in\u00a0vitro and in\u00a0vivo validations are imperative to assess real\u2010world effectiveness and safety.<\/jats:p>","DOI":"10.1096\/fj.202400757rr","type":"journal-article","created":{"date-parts":[[2024,12,16]],"date-time":"2024-12-16T10:06:54Z","timestamp":1734343614000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":6,"title":["Immunoinformatics approach: Developing a multi\u2010epitope vaccine with novel carriers targeting monkeypox virus"],"prefix":"10.1096","volume":"38","author":[{"given":"Sajjad","family":"Nejabat","sequence":"first","affiliation":[{"name":"Science and Technology Research Center AJA University of Medical Sciences  Tehran Iran"},{"name":"Pharmaceutical Sciences Research Center Shiraz University of Medical Sciences  Shiraz Iran"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7446-3265","authenticated-orcid":false,"given":"Mehdi Shakouri","family":"Khomartash","sequence":"additional","affiliation":[{"name":"Medical Biotechnology Research Center AJA University of Medical Sciences  Tehran Iran"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9210-0687","authenticated-orcid":false,"given":"Mojgan","family":"Mohammadimehr","sequence":"additional","affiliation":[{"name":"Infectious Diseases Research Center AJA University of Medical Sciences  Tehran Iran"},{"name":"Department of Laboratory Sciences, Faculty of Paramedicine AJA University of Medical Sciences  Tehran Iran"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zahra","family":"Adloo","sequence":"additional","affiliation":[{"name":"Pharmaceutical Sciences Research Center Shiraz University of Medical Sciences  Shiraz Iran"},{"name":"Department of Laboratory Sciences, School of Paramedical Sciences Shiraz University of Medical Sciences  Shiraz Iran"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3386-0069","authenticated-orcid":false,"given":"Fernando Berton","family":"Zanchi","sequence":"additional","affiliation":[{"name":"Laborat\u00f3rio de Bioinform\u00e1tica e Qu\u00edmica Medicinal (LABIOQUIM) Funda\u00e7\u00e3o Oswaldo Cruz Rond\u00f4nia  Porto Velho Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6618-4426","authenticated-orcid":false,"given":"Mahdi","family":"Ghorbani","sequence":"additional","affiliation":[{"name":"Department of Medical Laboratory Sciences, School of Allied Medical Sciences AJA University of Medical Sciences  Tehran Iran"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8103-2685","authenticated-orcid":false,"given":"Navid","family":"Nezafat","sequence":"additional","affiliation":[{"name":"Pharmaceutical Sciences Research Center Shiraz University of Medical Sciences  Shiraz Iran"},{"name":"Department of Pharmaceutical Biotechnology, School of Pharmacy Shiraz University of Medical Sciences  Shiraz Iran"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2024,12,16]]},"reference":[{"key":"e_1_2_11_2_1","doi-asserted-by":"publisher","DOI":"10.1093\/cid\/cit703"},{"key":"e_1_2_11_3_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41577-022-00775-4"},{"key":"e_1_2_11_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.idc.2019.03.001"},{"key":"e_1_2_11_5_1","doi-asserted-by":"publisher","DOI":"10.1093\/infdis\/156.2.293"},{"key":"e_1_2_11_6_1","doi-asserted-by":"publisher","DOI":"10.1006\/viro.2002.1446"},{"key":"e_1_2_11_7_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pntd.0010141"},{"key":"e_1_2_11_8_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ebiom.2022.104424"},{"key":"e_1_2_11_9_1","unstructured":"2022\u201323 Mpox Outbreak: Global Trends. 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