{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T05:16:27Z","timestamp":1787030187863,"version":"build-2736575974"},"reference-count":40,"publisher":"MDPI AG","issue":"9","license":[{"start":{"date-parts":[[2022,9,19]],"date-time":"2022-09-19T00:00:00Z","timestamp":1663545600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100006261","name":"Taif University","doi-asserted-by":"publisher","award":["TURSP-2020\/124"],"award-info":[{"award-number":["TURSP-2020\/124"]}],"id":[{"id":"10.13039\/501100006261","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Vaccines"],"abstract":"<jats:p>Currently, there are limited treatment options available for the monkeypox disease. We used a computational strategy to design a specific antigenic vaccine against pathogens. After using various immunoinformatic tools and filters, cytotoxic T-cell lymphocyte (CTL)-, helper T-cell lymphocyte (HTL)-, and interferon gamma (IFN-\u03b3)-inducing epitopes, which comprised the vaccine, in addition to other parameters, such as antigenic and allergic profiles, were assessed to confirm the safety of the vaccine. However, vaccine interaction and stability with Toll-like receptors (TLRs) were assessed by dynamic simulation methods, and it was found that the constructed vaccine was stable. In addition, C-IMMSIM tools were used to determine the immune-response-triggering capabilities of the vaccine. These immunoinformatic findings reveal that constructed vaccine candidates may be capable of triggering an efficient immune response for monkeypox viral infections. However, experimental evaluation is required to verify the safety and immunogenic profile of constructed vaccines.<\/jats:p>","DOI":"10.3390\/vaccines10091564","type":"journal-article","created":{"date-parts":[[2022,9,21]],"date-time":"2022-09-21T00:08:09Z","timestamp":1663718889000},"page":"1564","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":43,"title":["Multi-Epitope-Based Vaccine Candidate for Monkeypox: An In Silico Approach"],"prefix":"10.3390","volume":"10","author":[{"given":"Sayed Aliul Hasan","family":"Abdi","sequence":"first","affiliation":[{"name":"Department of Pharmacy, Al Baha University, Al Baha 1988, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8463-5182","authenticated-orcid":false,"given":"Amena","family":"Ali","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, College of Pharmacy, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0115-9446","authenticated-orcid":false,"given":"Shabihul Fatma","family":"Sayed","sequence":"additional","affiliation":[{"name":"College of Nursing, University College Farasan Province, Jazan University, Jazan 54943, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"family":"Abutahir","sequence":"additional","affiliation":[{"name":"Hakikullah Chaudhary College of Pharmacy, Gharighat, Gonda 27132, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4313-3896","authenticated-orcid":false,"given":"Abuzer","family":"Ali","sequence":"additional","affiliation":[{"name":"Department of Pharmacognosy, College of Pharmacy, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Prawez","family":"Alam","sequence":"additional","affiliation":[{"name":"Department of Pharmacognosy, College of Pharmacy, Prince Sattam bin Abdulaziz University, P.O. Box 173, Al Kharj 11942, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2022,9,19]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"241","DOI":"10.3389\/fpubh.2018.00241","article-title":"Emergence of Monkeypox as the Most Important Orthopoxvirus Infection in Humans","volume":"6","year":"2018","journal-title":"Front. Public Health"},{"key":"ref_2","unstructured":"WHO (2022, August 14). Monkeypox. Available online: https:\/\/www.who.int\/news-room\/fact-sheets\/detail\/monkeypox."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1038\/d41586-022-01421-8","article-title":"Monkeypox goes global: Why scientists are on alert","volume":"6","author":"Kozlov","year":"2022","journal-title":"Nature"},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"232","DOI":"10.3201\/eid2002.130118","article-title":"Genomic Variability of Monkeypox Virus among Humans, Democratic Republic of the Congo","volume":"20","author":"Kugelman","year":"2014","journal-title":"Emerg. Infect. Dis."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"96","DOI":"10.1111\/j.1600-065X.2008.00691.x","article-title":"Monkeypox virus and insights into its immunomodulatory proteins","volume":"2","author":"Weaver","year":"2008","journal-title":"Immunol. Rev."},{"key":"ref_6","unstructured":"Moore, M.J., Rathish, B., and Zahra, F. (2022, August 14). Monkeypox, Available online: https:\/\/www.ncbi.nlm.nih.gov\/books\/NBK574519\/."},{"key":"ref_7","doi-asserted-by":"crossref","unstructured":"Bunge, E.M., Hoet, B., Chen, L., Lienert, F., Weidenthaler, H., Baer, L.R., and Steffen, R. (2022). The changing epidemiology of human monkeypox\u2014A potential threat? A systematic review. PLoS Negl. Trop. Dis., 1.","DOI":"10.1101\/2021.12.21.21268202"},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"16262","DOI":"10.1073\/pnas.1005769107","article-title":"Major increase in human monkeypox incidence 30 years after smallpox vaccination campaigns cease in the Democratic Republic of Congo","volume":"1","author":"Rimoin","year":"2010","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"280","DOI":"10.1053\/j.spid.2004.09.001","article-title":"Monkeypox: A review of the history and emergence in the Western hemisphere","volume":"1","author":"Ligon","year":"2004","journal-title":"Semin. Pediatr. Infect. Dis."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"2517","DOI":"10.1038\/s41598-019-39299-8","article-title":"Designing a multi-epitope based vaccine to combat Kaposi Sarcoma utilizing immunoinformatics approach","volume":"9","author":"Chauhan","year":"2019","journal-title":"Sci. Rep."},{"key":"ref_11","doi-asserted-by":"crossref","unstructured":"Soltan, M.A., Eldeen, M.A., Elbassiouny, N., Kamel, H.L., Abdelraheem, K.M., El-Gayyed, H.A., Gouda, A.M., Sheha, M.F., Fayad, E., and Ali, O.A.A. (2021). In Silico Designing of a Multitope Vaccine against Rhizopus microsporus with Potential Activity against Other Mucormycosis Causing Fungi. Cells, 10.","DOI":"10.3390\/cells10113014"},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"749","DOI":"10.1189\/jlb.1103543","article-title":"Toll-like receptors and the host defense against microbial pathogens: Bringing specificity to the innate-immune system","volume":"75","author":"Netea","year":"2004","journal-title":"J. Leukoc. Biol."},{"key":"ref_13","doi-asserted-by":"crossref","unstructured":"Doytchinova, I.A., and Flower, D.R. (2007). VaxiJen: A server for prediction of protective antigens, tumour antigens and subunit vaccines. BMC Bioinform., 8.","DOI":"10.1186\/1471-2105-8-4"},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"3784","DOI":"10.1093\/nar\/gkg563","article-title":"ExPASy: The proteomics server for in-depth protein knowledge and analysis","volume":"31","author":"Gasteiger","year":"2003","journal-title":"Nucleic Acids Res."},{"key":"ref_15","doi-asserted-by":"crossref","unstructured":"Larsen, M.V., Lelic, A., Parsons, R., Nielsen, M., Hoof, I., Lamberth, K., Loeb, M.B., Buus, S., Bramson, J., and Lund, O. (2010). Identification of CD8+ T Cell Epitopes in the West Nile Virus Polyprotein by Reverse-Immunology Using NetCTL. PLoS ONE, 5.","DOI":"10.1371\/journal.pone.0012697"},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"394","DOI":"10.1111\/imm.12889","article-title":"Improved methods for predicting peptide binding affinity to MHC class II molecules","volume":"1","author":"Jensen","year":"2018","journal-title":"Immunology"},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"W502","DOI":"10.1093\/nar\/gkz452","article-title":"IEDB-AR: Immune epitope database\u2014analysis resource in 2019","volume":"4","author":"Dhanda","year":"2019","journal-title":"Nucleic Acids Res."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"846","DOI":"10.1093\/bioinformatics\/btt619","article-title":"AllergenFP: Allergenicity prediction by descriptor fingerprints","volume":"3","author":"Dimitrov","year":"2014","journal-title":"Bioinformatics"},{"key":"ref_19","doi-asserted-by":"crossref","unstructured":"Dimitrov, I., Flower, D.R., and Doytchinova, I. (2013). AllerTOP\u2014a server for in silico prediction of allergens. BMC Bioinform., 1.","DOI":"10.1186\/1471-2105-14-S6-S4"},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"W513","DOI":"10.1093\/nar\/gkn254","article-title":"Immune epitope database analysis resource (IEDB-AR)","volume":"3","author":"Zhang","year":"2008","journal-title":"Nucleic Acids Res."},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"30","DOI":"10.1186\/1745-6150-8-30","article-title":"Designing of interferon-gamma inducing MHC class-II binders","volume":"8","author":"Dhanda","year":"2013","journal-title":"Biol. Direct"},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"1496","DOI":"10.1073\/pnas.1914677117","article-title":"Improved protein structure prediction using predicted interresidue orientations","volume":"1","author":"Yang","year":"2020","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"ref_23","doi-asserted-by":"crossref","unstructured":"Rohl, C.A., Strauss, C.E.M., Misura, K.M.S., and Baker, D. (2004). Protein Structure Prediction Using Rosetta. Methods in Enzymology, Academic Press.","DOI":"10.1016\/S0076-6879(04)83004-0"},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"W451","DOI":"10.1093\/nar\/gkz288","article-title":"GalaxyRefine2: Simultaneous refinement of inaccurate local regions and overall protein structure","volume":"4","author":"Lee","year":"2019","journal-title":"Nucleic Acids Res."},{"key":"ref_25","doi-asserted-by":"crossref","unstructured":"Laskowski, R.A., MacArthur, M.W., and Thornton, J.M. (2012). PROCHECK: Validation of protein-structure coordinates. International Tables for Crystallography, International Union of Crystallography.","DOI":"10.1107\/97809553602060000882"},{"key":"ref_26","first-page":"W363","article-title":"PatchDock and SymmDock: Servers for rigid and symmetric docking","volume":"3","author":"Inbar","year":"2005","journal-title":"Nucleic Acids Res."},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"139","DOI":"10.1002\/prot.21495","article-title":"FireDock: Fast interaction refinement in molecular docking","volume":"6","author":"Andrusier","year":"2007","journal-title":"Proteins Struct. Funct. Bioinform."},{"key":"ref_28","doi-asserted-by":"crossref","unstructured":"Rapin, N., Lund, O., Bernaschi, M., and Castiglione, F. (2010). Computational Immunology Meets Bioinformatics: The Use of Prediction Tools for Molecular Binding in the Simulation of the Immune System. PLoS ONE, 5.","DOI":"10.1371\/journal.pone.0009862"},{"key":"ref_29","first-page":"842329","article-title":"How the Interval between Prime and Boost Injection Affects the Immune Response in a Computational Model of the Immune System","volume":"2","author":"Castiglione","year":"2012","journal-title":"Comput. Math. Methods Med."},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"8600","DOI":"10.1016\/j.arabjc.2020.09.044","article-title":"Identification and in silico molecular modelling study of newly isolated Bacillus subtilis SI-18 strain against S9 protein of Rhizoctonia solani","volume":"1","author":"Islam","year":"2020","journal-title":"Arab. J. Chem."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"6317","DOI":"10.1080\/07391102.2020.1796813","article-title":"Comparative molecular investigation of the potential inhibitors against SARS-CoV-2 main protease: A molecular docking study","volume":"3","author":"Khan","year":"2021","journal-title":"J. Biomol. Struct. Dyn."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"3096","DOI":"10.1016\/j.vaccine.2017.04.031","article-title":"Evaluation of tandem Chlamydia trachomatis MOMP multi-epitopes vaccine in BALB\/c mice model","volume":"3","author":"Jiang","year":"2017","journal-title":"Vaccine"},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1038\/cmi.2016.20","article-title":"Identification of a CD4 T-cell epitope in the hemagglutinin stalk domain of pandemic H1N1 influenza virus and its antigen-driven TCR usage signature in BALB\/c mice","volume":"1","author":"Lu","year":"2017","journal-title":"Cell Mol. Immunol."},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"815","DOI":"10.1038\/cmi.2017.3","article-title":"Efficient control of chronic LCMV infection by a CD4 T cell epitope-based heterologous prime-boost vaccination in a murine model","volume":"1","author":"He","year":"2018","journal-title":"Cell Mol. Immunol."},{"key":"ref_35","doi-asserted-by":"crossref","unstructured":"Bazhan, S.I., Antonets, D.V., Karpenko, L.I., Oreshkova, S.F., Kaplina, O.N., Starostina, E.V., Dudko, S.G., Fedotova, S.A., and Ilyichev, A.A. (2019). In silico Designed Ebola Virus T-Cell Multi-Epitope DNA Vaccine Constructions Are Immunogenic in Mice. Vaccines, 7.","DOI":"10.3390\/vaccines7020034"},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"101413","DOI":"10.1016\/j.cimid.2020.101413","article-title":"Vaccination with a novel multi-epitope ROP8 DNA vaccine against acute Toxoplasma gondii infection induces strong B and T cell responses in mice","volume":"6","author":"Foroutan","year":"2020","journal-title":"Comp. Immunol. Microbiol. Infect. Dis."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"316","DOI":"10.3389\/fimmu.2014.00316","article-title":"A Comparative Review of Toll-Like Receptor 4 Expression and Functionality in Different Animal Species","volume":"5","author":"Vaure","year":"2014","journal-title":"Front. Immunol."},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"13069","DOI":"10.1021\/acsomega.9b00944","article-title":"Strategic Development of a Next-Generation Multi-Epitope Vaccine to Prevent Nipah Virus Zoonotic Infection","volume":"4","author":"Ojha","year":"2019","journal-title":"ACS Omega"},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"10895","DOI":"10.1038\/s41598-020-67749-1","article-title":"A candidate multi-epitope vaccine against SARS-CoV-2","volume":"1","author":"Kar","year":"2020","journal-title":"Sci. Rep."},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"278","DOI":"10.3389\/fimmu.2017.00278","article-title":"The Immune Epitope Database and Analysis Resource in Epitope Discovery and Synthetic Vaccine Design","volume":"8","author":"Fleri","year":"2017","journal-title":"Front. Immunol."}],"container-title":["Vaccines"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2076-393X\/10\/9\/1564\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,11]],"date-time":"2025-10-11T00:34:36Z","timestamp":1760142876000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2076-393X\/10\/9\/1564"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,9,19]]},"references-count":40,"journal-issue":{"issue":"9","published-online":{"date-parts":[[2022,9]]}},"alternative-id":["vaccines10091564"],"URL":"https:\/\/doi.org\/10.3390\/vaccines10091564","relation":{},"ISSN":["2076-393X"],"issn-type":[{"value":"2076-393X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,9,19]]}}}