Cytotoxic T-lymphocyte elicited vaccine against SARS-CoV-2 employing immunoinformatics framework

Abstract Development of effective counteragents against the novel coronavirus disease (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) strains, requires clear insights and information for understanding the immune responses associated with it. This global pandemic has...

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Autores principales:	Neeraj Kumar, Nikita Admane, Anchala Kumari, Damini Sood, Sonam Grover, Vijay Kumar Prajapati, Ramesh Chandra, Abhinav Grover
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/d524e1fc778745048657b7369d0243fd
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spelling	oai:doaj.org-article:d524e1fc778745048657b7369d0243fd2021-12-02T14:37:39ZCytotoxic T-lymphocyte elicited vaccine against SARS-CoV-2 employing immunoinformatics framework10.1038/s41598-021-86986-62045-2322https://doaj.org/article/d524e1fc778745048657b7369d0243fd2021-04-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-86986-6https://doaj.org/toc/2045-2322Abstract Development of effective counteragents against the novel coronavirus disease (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) strains, requires clear insights and information for understanding the immune responses associated with it. This global pandemic has pushed the healthcare system and restricted the movement of people and succumbing of the available therapeutics utterly warrants the development of a potential vaccine to contest the deadly situation. In the present study, highly efficacious, immunodominant cytotoxic T-lymphocyte (CTL) epitopes were predicted by advanced immunoinformatics assays using the spike glycoprotein of SARS-CoV2, generating a robust and specific immune response with convincing immunological parameters (Antigenicity, TAP affinity, MHC binder) engendering an efficient viral vaccine. The molecular docking studies show strong binding of the CTL construct with MHC-1 and host membrane specific TLR2 receptors. The molecular dynamics simulation in an explicit system confirmed the stable and robust binding of CTL epitope with TLR2. Steep magnitude RMSD variation and compelling residual fluctuations existed in terminal residues and various loops of the β linker segments of TLR2-epitope (residues 105-156 and 239-254) to about 0.4 nm. The reduced Rg value (3.3 nm) and stagnant SASA analysis (275 nm/S2/N after 8 ns and 5 ns) for protein surface and its orientation in the exposed and buried regions suggests more compactness due to the strong binding interaction of the epitope. The CTL vaccine candidate establishes a high capability to elicit the critical immune regulators, like T-cells and memory cells as proven by the in silico immunization assays and can be further corroborated through in vitro and in vivo assays.Neeraj KumarNikita AdmaneAnchala KumariDamini SoodSonam GroverVijay Kumar PrajapatiRamesh ChandraAbhinav GroverNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-14 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Neeraj Kumar Nikita Admane Anchala Kumari Damini Sood Sonam Grover Vijay Kumar Prajapati Ramesh Chandra Abhinav Grover Cytotoxic T-lymphocyte elicited vaccine against SARS-CoV-2 employing immunoinformatics framework
description	Abstract Development of effective counteragents against the novel coronavirus disease (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) strains, requires clear insights and information for understanding the immune responses associated with it. This global pandemic has pushed the healthcare system and restricted the movement of people and succumbing of the available therapeutics utterly warrants the development of a potential vaccine to contest the deadly situation. In the present study, highly efficacious, immunodominant cytotoxic T-lymphocyte (CTL) epitopes were predicted by advanced immunoinformatics assays using the spike glycoprotein of SARS-CoV2, generating a robust and specific immune response with convincing immunological parameters (Antigenicity, TAP affinity, MHC binder) engendering an efficient viral vaccine. The molecular docking studies show strong binding of the CTL construct with MHC-1 and host membrane specific TLR2 receptors. The molecular dynamics simulation in an explicit system confirmed the stable and robust binding of CTL epitope with TLR2. Steep magnitude RMSD variation and compelling residual fluctuations existed in terminal residues and various loops of the β linker segments of TLR2-epitope (residues 105-156 and 239-254) to about 0.4 nm. The reduced Rg value (3.3 nm) and stagnant SASA analysis (275 nm/S2/N after 8 ns and 5 ns) for protein surface and its orientation in the exposed and buried regions suggests more compactness due to the strong binding interaction of the epitope. The CTL vaccine candidate establishes a high capability to elicit the critical immune regulators, like T-cells and memory cells as proven by the in silico immunization assays and can be further corroborated through in vitro and in vivo assays.
format	article
author	Neeraj Kumar Nikita Admane Anchala Kumari Damini Sood Sonam Grover Vijay Kumar Prajapati Ramesh Chandra Abhinav Grover
author_facet	Neeraj Kumar Nikita Admane Anchala Kumari Damini Sood Sonam Grover Vijay Kumar Prajapati Ramesh Chandra Abhinav Grover
author_sort	Neeraj Kumar
title	Cytotoxic T-lymphocyte elicited vaccine against SARS-CoV-2 employing immunoinformatics framework
title_short	Cytotoxic T-lymphocyte elicited vaccine against SARS-CoV-2 employing immunoinformatics framework
title_full	Cytotoxic T-lymphocyte elicited vaccine against SARS-CoV-2 employing immunoinformatics framework
title_fullStr	Cytotoxic T-lymphocyte elicited vaccine against SARS-CoV-2 employing immunoinformatics framework
title_full_unstemmed	Cytotoxic T-lymphocyte elicited vaccine against SARS-CoV-2 employing immunoinformatics framework
title_sort	cytotoxic t-lymphocyte elicited vaccine against sars-cov-2 employing immunoinformatics framework
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/d524e1fc778745048657b7369d0243fd
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Cytotoxic T-lymphocyte elicited vaccine against SARS-CoV-2 employing immunoinformatics framework

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