In silico Design of a Vaccine Candidate for SAR S-CoV-2 Based on Multiple T-cell and B-cell Epitopes
Coronaviruses (2019-nCoV) are large single-stranded RNA viruses that usually cause respiratory infections with a crude lethality ratio of 3.8% and high levels of transmissibility. There is yet no applicable clinical evaluation to assess the efficacy of various therapeutic agents that have been sugge...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Razi Vaccine and Serum Research Institute
2021-11-01
|
| Series: | Archives of Razi Institute |
| Subjects: | |
| Online Access: | https://archrazi.areeo.ac.ir/article_122865_04d05eea2c70940d6d34168784b44b35.pdf |
| _version_ | 1818245913906249728 |
|---|---|
| author | B. Oso I. Olaoye C. Ogidi |
| author_facet | B. Oso I. Olaoye C. Ogidi |
| author_sort | B. Oso |
| collection | DOAJ |
| description | Coronaviruses (2019-nCoV) are large single-stranded RNA viruses that usually cause respiratory infections with a crude lethality ratio of 3.8% and high levels of transmissibility. There is yet no applicable clinical evaluation to assess the efficacy of various therapeutic agents that have been suggested as investigational drugs against the viruses despite their respective supposed hypothetical claims due to their antiviral potentials. Moreover, the development of a safe and effective vaccine has been suggested as an intervention to control the 2019-nCoV pandemic. However, a major concern in the development of a 2019-nCoV vaccine is the possibility of stimulating a corresponding immune response without enhancing the induction of the disease and associated side effects. The present investigation was carried out by predicting the antigenicity of the primary sequences of 2019-nCoV structural proteins and identification of B-cell and T-cell epitopes through the Bepipred and PEPVAC servers, respectively. The peptides of the vaccine construct include the selected epitopes based on the VaxiJen score with a threshold of 1.0 and β-defensinas an adjuvant. The putative binding of the vaccine constructs to intracellular toll-like receptors (TLRs) was assessed through molecular docking analysis and molecular dynamics simulations. The selected epitopes for the final vaccine construct are DPNFKD, SPLSLN, and LELQDHNE as B-cell epitopes and EPKLGSLVV, NFKDQVILL, and SSRSSSRSR as T-cell epitopes. The molecular docking analysis showed the vaccine construct could have favorable interactions with TLRs as indicated by the negative values of the computed binding energies. The constructed immunogen based on the immune informatics study could be employed in the strategy to develop potential vaccine candidates against 2019-nCoV. |
| first_indexed | 2024-12-12T14:40:28Z |
| format | Article |
| id | doaj.art-09f67b237ebf4f8d861147e8642fb641 |
| institution | Directory Open Access Journal |
| issn | 0365-3439 2008-9872 |
| language | English |
| last_indexed | 2024-12-12T14:40:28Z |
| publishDate | 2021-11-01 |
| publisher | Razi Vaccine and Serum Research Institute |
| record_format | Article |
| series | Archives of Razi Institute |
| spelling | doaj.art-09f67b237ebf4f8d861147e8642fb6412022-12-22T00:21:14ZengRazi Vaccine and Serum Research InstituteArchives of Razi Institute0365-34392008-98722021-11-017651191120210.22092/ari.2020.351605.1526122865In silico Design of a Vaccine Candidate for SAR S-CoV-2 Based on Multiple T-cell and B-cell EpitopesB. Oso0I. Olaoye1C. Ogidi2Department of Biochemistry, McPherson University, Seriki Sotayo, Ogun State, NigeriaDepartment of Biochemistry, McPherson University, Seriki Sotayo, Ogun State, NigeriaSchool of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Liverpool, EnglandCoronaviruses (2019-nCoV) are large single-stranded RNA viruses that usually cause respiratory infections with a crude lethality ratio of 3.8% and high levels of transmissibility. There is yet no applicable clinical evaluation to assess the efficacy of various therapeutic agents that have been suggested as investigational drugs against the viruses despite their respective supposed hypothetical claims due to their antiviral potentials. Moreover, the development of a safe and effective vaccine has been suggested as an intervention to control the 2019-nCoV pandemic. However, a major concern in the development of a 2019-nCoV vaccine is the possibility of stimulating a corresponding immune response without enhancing the induction of the disease and associated side effects. The present investigation was carried out by predicting the antigenicity of the primary sequences of 2019-nCoV structural proteins and identification of B-cell and T-cell epitopes through the Bepipred and PEPVAC servers, respectively. The peptides of the vaccine construct include the selected epitopes based on the VaxiJen score with a threshold of 1.0 and β-defensinas an adjuvant. The putative binding of the vaccine constructs to intracellular toll-like receptors (TLRs) was assessed through molecular docking analysis and molecular dynamics simulations. The selected epitopes for the final vaccine construct are DPNFKD, SPLSLN, and LELQDHNE as B-cell epitopes and EPKLGSLVV, NFKDQVILL, and SSRSSSRSR as T-cell epitopes. The molecular docking analysis showed the vaccine construct could have favorable interactions with TLRs as indicated by the negative values of the computed binding energies. The constructed immunogen based on the immune informatics study could be employed in the strategy to develop potential vaccine candidates against 2019-nCoV.https://archrazi.areeo.ac.ir/article_122865_04d05eea2c70940d6d34168784b44b35.pdf2019-ncovepitopeimmunityimmunoinformaticsvaccine |
| spellingShingle | B. Oso I. Olaoye C. Ogidi In silico Design of a Vaccine Candidate for SAR S-CoV-2 Based on Multiple T-cell and B-cell Epitopes Archives of Razi Institute 2019-ncov epitope immunity immunoinformatics vaccine |
| title | In silico Design of a Vaccine Candidate for SAR S-CoV-2 Based on Multiple T-cell and B-cell Epitopes |
| title_full | In silico Design of a Vaccine Candidate for SAR S-CoV-2 Based on Multiple T-cell and B-cell Epitopes |
| title_fullStr | In silico Design of a Vaccine Candidate for SAR S-CoV-2 Based on Multiple T-cell and B-cell Epitopes |
| title_full_unstemmed | In silico Design of a Vaccine Candidate for SAR S-CoV-2 Based on Multiple T-cell and B-cell Epitopes |
| title_short | In silico Design of a Vaccine Candidate for SAR S-CoV-2 Based on Multiple T-cell and B-cell Epitopes |
| title_sort | in silico design of a vaccine candidate for sar s cov 2 based on multiple t cell and b cell epitopes |
| topic | 2019-ncov epitope immunity immunoinformatics vaccine |
| url | https://archrazi.areeo.ac.ir/article_122865_04d05eea2c70940d6d34168784b44b35.pdf |
| work_keys_str_mv | AT boso insilicodesignofavaccinecandidateforsarscov2basedonmultipletcellandbcellepitopes AT iolaoye insilicodesignofavaccinecandidateforsarscov2basedonmultipletcellandbcellepitopes AT cogidi insilicodesignofavaccinecandidateforsarscov2basedonmultipletcellandbcellepitopes |