In silico design and immunoinformatics analysis of a universal multi-epitope vaccine against monkeypox virus.
Monkeypox virus (MPXV) outbreaks have been reported in various countries worldwide; however, there is no specific vaccine against MPXV. In this study, therefore, we employed computational approaches to design a multi-epitope vaccine against MPXV. Initially, cytotoxic T lymphocyte (CTL), helper T lym...
| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Public Library of Science (PLoS)
2023-01-01
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| Series: | PLoS ONE |
| Online Access: | https://doi.org/10.1371/journal.pone.0286224 |
| _version_ | 1797799823349383168 |
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| author | Samira Sanami Shahin Nazarian Sajjad Ahmad Elham Raeisi Muhammad Tahir Ul Qamar Shahram Tahmasebian Hamidreza Pazoki-Toroudi Maryam Fazeli Mahdi Ghatreh Samani |
| author_facet | Samira Sanami Shahin Nazarian Sajjad Ahmad Elham Raeisi Muhammad Tahir Ul Qamar Shahram Tahmasebian Hamidreza Pazoki-Toroudi Maryam Fazeli Mahdi Ghatreh Samani |
| author_sort | Samira Sanami |
| collection | DOAJ |
| description | Monkeypox virus (MPXV) outbreaks have been reported in various countries worldwide; however, there is no specific vaccine against MPXV. In this study, therefore, we employed computational approaches to design a multi-epitope vaccine against MPXV. Initially, cytotoxic T lymphocyte (CTL), helper T lymphocyte (HTL), linear B lymphocytes (LBL) epitopes were predicted from the cell surface-binding protein and envelope protein A28 homolog, both of which play essential roles in MPXV pathogenesis. All of the predicted epitopes were evaluated using key parameters. A total of 7 CTL, 4 HTL, and 5 LBL epitopes were chosen and combined with appropriate linkers and adjuvant to construct a multi-epitope vaccine. The CTL and HTL epitopes of the vaccine construct cover 95.57% of the worldwide population. The designed vaccine construct was found to be highly antigenic, non-allergenic, soluble, and to have acceptable physicochemical properties. The 3D structure of the vaccine and its potential interaction with Toll-Like receptor-4 (TLR4) were predicted. Molecular dynamics (MD) simulation confirmed the vaccine's high stability in complex with TLR4. Finally, codon adaptation and in silico cloning confirmed the high expression rate of the vaccine constructs in strain K12 of Escherichia coli (E. coli). These findings are very encouraging; however, in vitro and animal studies are needed to ensure the potency and safety of this vaccine candidate. |
| first_indexed | 2024-03-13T04:24:45Z |
| format | Article |
| id | doaj.art-51dc15157b4c49cb8a405e928bd66fc8 |
| institution | Directory Open Access Journal |
| issn | 1932-6203 |
| language | English |
| last_indexed | 2024-03-13T04:24:45Z |
| publishDate | 2023-01-01 |
| publisher | Public Library of Science (PLoS) |
| record_format | Article |
| series | PLoS ONE |
| spelling | doaj.art-51dc15157b4c49cb8a405e928bd66fc82023-06-20T05:31:30ZengPublic Library of Science (PLoS)PLoS ONE1932-62032023-01-01185e028622410.1371/journal.pone.0286224In silico design and immunoinformatics analysis of a universal multi-epitope vaccine against monkeypox virus.Samira SanamiShahin NazarianSajjad AhmadElham RaeisiMuhammad Tahir Ul QamarShahram TahmasebianHamidreza Pazoki-ToroudiMaryam FazeliMahdi Ghatreh SamaniMonkeypox virus (MPXV) outbreaks have been reported in various countries worldwide; however, there is no specific vaccine against MPXV. In this study, therefore, we employed computational approaches to design a multi-epitope vaccine against MPXV. Initially, cytotoxic T lymphocyte (CTL), helper T lymphocyte (HTL), linear B lymphocytes (LBL) epitopes were predicted from the cell surface-binding protein and envelope protein A28 homolog, both of which play essential roles in MPXV pathogenesis. All of the predicted epitopes were evaluated using key parameters. A total of 7 CTL, 4 HTL, and 5 LBL epitopes were chosen and combined with appropriate linkers and adjuvant to construct a multi-epitope vaccine. The CTL and HTL epitopes of the vaccine construct cover 95.57% of the worldwide population. The designed vaccine construct was found to be highly antigenic, non-allergenic, soluble, and to have acceptable physicochemical properties. The 3D structure of the vaccine and its potential interaction with Toll-Like receptor-4 (TLR4) were predicted. Molecular dynamics (MD) simulation confirmed the vaccine's high stability in complex with TLR4. Finally, codon adaptation and in silico cloning confirmed the high expression rate of the vaccine constructs in strain K12 of Escherichia coli (E. coli). These findings are very encouraging; however, in vitro and animal studies are needed to ensure the potency and safety of this vaccine candidate.https://doi.org/10.1371/journal.pone.0286224 |
| spellingShingle | Samira Sanami Shahin Nazarian Sajjad Ahmad Elham Raeisi Muhammad Tahir Ul Qamar Shahram Tahmasebian Hamidreza Pazoki-Toroudi Maryam Fazeli Mahdi Ghatreh Samani In silico design and immunoinformatics analysis of a universal multi-epitope vaccine against monkeypox virus. PLoS ONE |
| title | In silico design and immunoinformatics analysis of a universal multi-epitope vaccine against monkeypox virus. |
| title_full | In silico design and immunoinformatics analysis of a universal multi-epitope vaccine against monkeypox virus. |
| title_fullStr | In silico design and immunoinformatics analysis of a universal multi-epitope vaccine against monkeypox virus. |
| title_full_unstemmed | In silico design and immunoinformatics analysis of a universal multi-epitope vaccine against monkeypox virus. |
| title_short | In silico design and immunoinformatics analysis of a universal multi-epitope vaccine against monkeypox virus. |
| title_sort | in silico design and immunoinformatics analysis of a universal multi epitope vaccine against monkeypox virus |
| url | https://doi.org/10.1371/journal.pone.0286224 |
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