In-silico formulation of a next-generation polyvalent vaccine against multiple strains of monkeypox virus and other related poxviruses.
Mpox (formerly known as monkeypox) virus and some related poxviruses including smallpox virus pose a significant threat to public health, and effective prevention and treatment strategies are needed. This study utilized a reverse vaccinology approach to retrieve conserved epitopes for monkeypox viru...
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Public Library of Science (PLoS)
2024-01-01
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| Series: | PLoS ONE |
| Online Access: | https://journals.plos.org/plosone/article/file?id=10.1371/journal.pone.0300778&type=printable |
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| author | Abu Tayab Moin Nurul Amin Rani Rajesh B Patil Tanjin Barketullah Robin Md Asad Ullah Zahidur Rahim Md Foyzur Rahman Talha Zubair Mohabbat Hossain A K M Moniruzzaman Mollah Nurul Absar Mahboob Hossain Mohammed Abul Manchur Nazneen Naher Islam |
| author_facet | Abu Tayab Moin Nurul Amin Rani Rajesh B Patil Tanjin Barketullah Robin Md Asad Ullah Zahidur Rahim Md Foyzur Rahman Talha Zubair Mohabbat Hossain A K M Moniruzzaman Mollah Nurul Absar Mahboob Hossain Mohammed Abul Manchur Nazneen Naher Islam |
| author_sort | Abu Tayab Moin |
| collection | DOAJ |
| description | Mpox (formerly known as monkeypox) virus and some related poxviruses including smallpox virus pose a significant threat to public health, and effective prevention and treatment strategies are needed. This study utilized a reverse vaccinology approach to retrieve conserved epitopes for monkeypox virus and construct a vaccine that could provide cross-protection against related viruses with similar antigenic properties. The selected virulent proteins of monkeypox virus, MPXVgp165, and Virion core protein P4a, were subjected to epitope mapping for vaccine construction. Two vaccines were constructed using selected T cell epitopes and B cell epitopes with PADRE and human beta-defensins adjuvants conjugated in the vaccine sequence. Both constructs were found to be highly antigenic, non-allergenic, nontoxic, and soluble, suggesting their potential to generate an adequate immune response and be safe for humans. Vaccine construct 1 was selected for molecular dynamic simulation studies. The simulation studies revealed that the TLR8-vaccine complex was more stable than the TLR3-vaccine complex. The lower RMSD and RMSF values of the TLR8 bound vaccine compared to the TLR3 bound vaccine suggested better stability and consistency of hydrogen bonds. The Rg values of the vaccine chain bound to TLR8 indicated overall stability, whereas the vaccine chain bound to TLR3 showed deviations throughout the simulation. These results suggest that the constructed vaccine could be a potential preventive measure against monkeypox and related viruses however, further experimental validation is required to confirm these findings. |
| format | Article |
| id | doaj-art-b7f92c633c0846039a8a6e60fdeadf64 |
| institution | Kabale University |
| issn | 1932-6203 |
| language | English |
| publishDate | 2024-01-01 |
| publisher | Public Library of Science (PLoS) |
| record_format | Article |
| series | PLoS ONE |
| spelling | doaj-art-b7f92c633c0846039a8a6e60fdeadf642025-01-26T05:31:24ZengPublic Library of Science (PLoS)PLoS ONE1932-62032024-01-01195e030077810.1371/journal.pone.0300778In-silico formulation of a next-generation polyvalent vaccine against multiple strains of monkeypox virus and other related poxviruses.Abu Tayab MoinNurul Amin RaniRajesh B PatilTanjin Barketullah RobinMd Asad UllahZahidur RahimMd Foyzur RahmanTalha ZubairMohabbat HossainA K M Moniruzzaman MollahNurul AbsarMahboob HossainMohammed Abul ManchurNazneen Naher IslamMpox (formerly known as monkeypox) virus and some related poxviruses including smallpox virus pose a significant threat to public health, and effective prevention and treatment strategies are needed. This study utilized a reverse vaccinology approach to retrieve conserved epitopes for monkeypox virus and construct a vaccine that could provide cross-protection against related viruses with similar antigenic properties. The selected virulent proteins of monkeypox virus, MPXVgp165, and Virion core protein P4a, were subjected to epitope mapping for vaccine construction. Two vaccines were constructed using selected T cell epitopes and B cell epitopes with PADRE and human beta-defensins adjuvants conjugated in the vaccine sequence. Both constructs were found to be highly antigenic, non-allergenic, nontoxic, and soluble, suggesting their potential to generate an adequate immune response and be safe for humans. Vaccine construct 1 was selected for molecular dynamic simulation studies. The simulation studies revealed that the TLR8-vaccine complex was more stable than the TLR3-vaccine complex. The lower RMSD and RMSF values of the TLR8 bound vaccine compared to the TLR3 bound vaccine suggested better stability and consistency of hydrogen bonds. The Rg values of the vaccine chain bound to TLR8 indicated overall stability, whereas the vaccine chain bound to TLR3 showed deviations throughout the simulation. These results suggest that the constructed vaccine could be a potential preventive measure against monkeypox and related viruses however, further experimental validation is required to confirm these findings.https://journals.plos.org/plosone/article/file?id=10.1371/journal.pone.0300778&type=printable |
| spellingShingle | Abu Tayab Moin Nurul Amin Rani Rajesh B Patil Tanjin Barketullah Robin Md Asad Ullah Zahidur Rahim Md Foyzur Rahman Talha Zubair Mohabbat Hossain A K M Moniruzzaman Mollah Nurul Absar Mahboob Hossain Mohammed Abul Manchur Nazneen Naher Islam In-silico formulation of a next-generation polyvalent vaccine against multiple strains of monkeypox virus and other related poxviruses. PLoS ONE |
| title | In-silico formulation of a next-generation polyvalent vaccine against multiple strains of monkeypox virus and other related poxviruses. |
| title_full | In-silico formulation of a next-generation polyvalent vaccine against multiple strains of monkeypox virus and other related poxviruses. |
| title_fullStr | In-silico formulation of a next-generation polyvalent vaccine against multiple strains of monkeypox virus and other related poxviruses. |
| title_full_unstemmed | In-silico formulation of a next-generation polyvalent vaccine against multiple strains of monkeypox virus and other related poxviruses. |
| title_short | In-silico formulation of a next-generation polyvalent vaccine against multiple strains of monkeypox virus and other related poxviruses. |
| title_sort | in silico formulation of a next generation polyvalent vaccine against multiple strains of monkeypox virus and other related poxviruses |
| url | https://journals.plos.org/plosone/article/file?id=10.1371/journal.pone.0300778&type=printable |
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