tetano
Editor, Senior Moderator
Sci Rep
. 2021 Jul 29;11(1):15431.
doi: 10.1038/s41598-021-92176-1.
Designing a multi-epitope vaccine candidate to combat MERS-CoV by employing an immunoinformatics approach
Shafi Mahmud[SUP] #[/SUP][SUP] 1 [/SUP], Md Oliullah Rafi[SUP] #[/SUP][SUP] 2 [/SUP], Gobindo Kumar Paul[SUP] 1 [/SUP], Maria Meha Promi[SUP] 3 [/SUP], Mst Sharmin Sultana Shimu[SUP] 3 [/SUP], Suvro Biswas[SUP] 3 [/SUP], Talha Bin Emran[SUP] 4 [/SUP], Kuldeep Dhama[SUP] 5 [/SUP], Salem A Alyami[SUP] 6 [/SUP], Mohammad Ali Moni[SUP] 7 [/SUP], Md Abu Saleh[SUP] 8 [/SUP]
Affiliations
Abstract
Currently, no approved vaccine is available against the Middle East respiratory syndrome coronavirus (MERS-CoV), which causes severe respiratory disease. The spike glycoprotein is typically considered a suitable target for MERS-CoV vaccine candidates. A computational strategy can be used to design an antigenic vaccine against a pathogen. Therefore, we used immunoinformatics and computational approaches to design a multi-epitope vaccine that targets the spike glycoprotein of MERS-CoV. After using numerous immunoinformatics tools and applying several immune filters, a poly-epitope vaccine was constructed comprising cytotoxic T-cell lymphocyte (CTL)-, helper T-cell lymphocyte (HTL)-, and interferon-gamma (IFN-γ)-inducing epitopes. In addition, various physicochemical, allergenic, and antigenic profiles were evaluated to confirm the immunogenicity and safety of the vaccine. Molecular interactions, binding affinities, and the thermodynamic stability of the vaccine were examined through molecular docking and dynamic simulation approaches, during which we identified a stable and strong interaction with Toll-like receptors (TLRs). In silico immune simulations were performed to assess the immune-response triggering capabilities of the vaccine. This computational analysis suggested that the proposed vaccine candidate would be structurally stable and capable of generating an effective immune response to combat viral infections; however, experimental evaluations remain necessary to verify the exact safety and immunogenicity profile of this vaccine.
. 2021 Jul 29;11(1):15431.
doi: 10.1038/s41598-021-92176-1.
Designing a multi-epitope vaccine candidate to combat MERS-CoV by employing an immunoinformatics approach
Shafi Mahmud[SUP] #[/SUP][SUP] 1 [/SUP], Md Oliullah Rafi[SUP] #[/SUP][SUP] 2 [/SUP], Gobindo Kumar Paul[SUP] 1 [/SUP], Maria Meha Promi[SUP] 3 [/SUP], Mst Sharmin Sultana Shimu[SUP] 3 [/SUP], Suvro Biswas[SUP] 3 [/SUP], Talha Bin Emran[SUP] 4 [/SUP], Kuldeep Dhama[SUP] 5 [/SUP], Salem A Alyami[SUP] 6 [/SUP], Mohammad Ali Moni[SUP] 7 [/SUP], Md Abu Saleh[SUP] 8 [/SUP]
Affiliations
- PMID: 34326355
- DOI: 10.1038/s41598-021-92176-1
Abstract
Currently, no approved vaccine is available against the Middle East respiratory syndrome coronavirus (MERS-CoV), which causes severe respiratory disease. The spike glycoprotein is typically considered a suitable target for MERS-CoV vaccine candidates. A computational strategy can be used to design an antigenic vaccine against a pathogen. Therefore, we used immunoinformatics and computational approaches to design a multi-epitope vaccine that targets the spike glycoprotein of MERS-CoV. After using numerous immunoinformatics tools and applying several immune filters, a poly-epitope vaccine was constructed comprising cytotoxic T-cell lymphocyte (CTL)-, helper T-cell lymphocyte (HTL)-, and interferon-gamma (IFN-γ)-inducing epitopes. In addition, various physicochemical, allergenic, and antigenic profiles were evaluated to confirm the immunogenicity and safety of the vaccine. Molecular interactions, binding affinities, and the thermodynamic stability of the vaccine were examined through molecular docking and dynamic simulation approaches, during which we identified a stable and strong interaction with Toll-like receptors (TLRs). In silico immune simulations were performed to assess the immune-response triggering capabilities of the vaccine. This computational analysis suggested that the proposed vaccine candidate would be structurally stable and capable of generating an effective immune response to combat viral infections; however, experimental evaluations remain necessary to verify the exact safety and immunogenicity profile of this vaccine.