A computational approach to design a polyvalent vaccine against human respiratory syncytial virus
Abstract Human Respiratory Syncytial Virus (RSV) is one of the leading causes of lower respiratory tract infections (LRTI), responsible for infecting people from all age groups—a majority of which comprises infants and children. Primarily, severe RSV infections are accountable for multitudes of deat...
| Main Authors: | , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2023-06-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-023-35309-y |
| _version_ | 1797752750602190848 |
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| author | Abu Tayab Moin Md. Asad Ullah Rajesh B. Patil Nairita Ahsan Faruqui Yusha Araf Sowmen Das Khaza Md. Kapil Uddin Md. Shakhawat Hossain Md. Faruque Miah Mohammad Ali Moni Dil Umme Salma Chowdhury Saiful Islam |
| author_facet | Abu Tayab Moin Md. Asad Ullah Rajesh B. Patil Nairita Ahsan Faruqui Yusha Araf Sowmen Das Khaza Md. Kapil Uddin Md. Shakhawat Hossain Md. Faruque Miah Mohammad Ali Moni Dil Umme Salma Chowdhury Saiful Islam |
| author_sort | Abu Tayab Moin |
| collection | DOAJ |
| description | Abstract Human Respiratory Syncytial Virus (RSV) is one of the leading causes of lower respiratory tract infections (LRTI), responsible for infecting people from all age groups—a majority of which comprises infants and children. Primarily, severe RSV infections are accountable for multitudes of deaths worldwide, predominantly of children, every year. Despite several efforts to develop a vaccine against RSV as a potential countermeasure, there has been no approved or licensed vaccine available yet, to control the RSV infection effectively. Therefore, through the utilization of immunoinformatics tools, a computational approach was taken in this study, to design a multi-epitope polyvalent vaccine against two major antigenic subtypes of RSV, RSV-A and RSV-B. Potential predictions of the T-cell and B-cell epitopes were followed by extensive tests of antigenicity, allergenicity, toxicity, conservancy, homology to human proteome, transmembrane topology, and cytokine-inducing ability. The peptide vaccine was modeled, refined, and validated. Molecular docking analysis with specific Toll-like receptors (TLRs) revealed excellent interactions with suitable global binding energies. Additionally, molecular dynamics (MD) simulation ensured the stability of the docking interactions between the vaccine and TLRs. Mechanistic approaches to imitate and predict the potential immune response generated by the administration of vaccines were determined through immune simulations. Subsequent mass production of the vaccine peptide was evaluated; however, there remains a necessity for further in vitro and in vivo experiments to validate its efficacy against RSV infections. |
| first_indexed | 2024-03-12T17:09:01Z |
| format | Article |
| id | doaj.art-30611020c3524c86bdbddae951b0816b |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-03-12T17:09:01Z |
| publishDate | 2023-06-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-30611020c3524c86bdbddae951b0816b2023-08-06T11:12:56ZengNature PortfolioScientific Reports2045-23222023-06-0113112010.1038/s41598-023-35309-yA computational approach to design a polyvalent vaccine against human respiratory syncytial virusAbu Tayab Moin0Md. Asad Ullah1Rajesh B. Patil2Nairita Ahsan Faruqui3Yusha Araf4Sowmen Das5Khaza Md. Kapil Uddin6Md. Shakhawat Hossain7Md. Faruque Miah8Mohammad Ali Moni9Dil Umme Salma Chowdhury10Saiful Islam11Department of Genetic Engineering and Biotechnology, Faculty of Biological Sciences, University of ChittagongDepartment of Biotechnology and Genetic Engineering, Faculty of Biological Sciences, Jahangirnagar UniversityDepartment of Pharmaceutical Chemistry, Sinhgad Technical Education Society’s, Sinhgad College of PharmacyBiotechnology Program, Department of Mathematics and Natural Sciences, School of Data and Sciences, BRAC UniversityDepartment of Genetic Engineering and Biotechnology, School of Life Sciences, Shahjalal University of Science and TechnologyDepartment of Computer Science and Engineering, School of Physical Sciences, Shahjalal University of Science and TechnologyDepartment of Genetic Engineering and Biotechnology, Faculty of Biological Sciences, University of ChittagongDepartment of Genetic Engineering and Biotechnology, Faculty of Biological Sciences, University of ChittagongDepartment of Genetic Engineering and Biotechnology, School of Life Sciences, Shahjalal University of Science and TechnologyBone Biology Division, The Garvan Institute of Medical Research, DarlinghurstDepartment of Genetic Engineering and Biotechnology, Faculty of Biological Sciences, University of ChittagongBangladesh Council of Scientific and Industrial Research (BCSIR), Chattogram LaboratoriesAbstract Human Respiratory Syncytial Virus (RSV) is one of the leading causes of lower respiratory tract infections (LRTI), responsible for infecting people from all age groups—a majority of which comprises infants and children. Primarily, severe RSV infections are accountable for multitudes of deaths worldwide, predominantly of children, every year. Despite several efforts to develop a vaccine against RSV as a potential countermeasure, there has been no approved or licensed vaccine available yet, to control the RSV infection effectively. Therefore, through the utilization of immunoinformatics tools, a computational approach was taken in this study, to design a multi-epitope polyvalent vaccine against two major antigenic subtypes of RSV, RSV-A and RSV-B. Potential predictions of the T-cell and B-cell epitopes were followed by extensive tests of antigenicity, allergenicity, toxicity, conservancy, homology to human proteome, transmembrane topology, and cytokine-inducing ability. The peptide vaccine was modeled, refined, and validated. Molecular docking analysis with specific Toll-like receptors (TLRs) revealed excellent interactions with suitable global binding energies. Additionally, molecular dynamics (MD) simulation ensured the stability of the docking interactions between the vaccine and TLRs. Mechanistic approaches to imitate and predict the potential immune response generated by the administration of vaccines were determined through immune simulations. Subsequent mass production of the vaccine peptide was evaluated; however, there remains a necessity for further in vitro and in vivo experiments to validate its efficacy against RSV infections.https://doi.org/10.1038/s41598-023-35309-y |
| spellingShingle | Abu Tayab Moin Md. Asad Ullah Rajesh B. Patil Nairita Ahsan Faruqui Yusha Araf Sowmen Das Khaza Md. Kapil Uddin Md. Shakhawat Hossain Md. Faruque Miah Mohammad Ali Moni Dil Umme Salma Chowdhury Saiful Islam A computational approach to design a polyvalent vaccine against human respiratory syncytial virus Scientific Reports |
| title | A computational approach to design a polyvalent vaccine against human respiratory syncytial virus |
| title_full | A computational approach to design a polyvalent vaccine against human respiratory syncytial virus |
| title_fullStr | A computational approach to design a polyvalent vaccine against human respiratory syncytial virus |
| title_full_unstemmed | A computational approach to design a polyvalent vaccine against human respiratory syncytial virus |
| title_short | A computational approach to design a polyvalent vaccine against human respiratory syncytial virus |
| title_sort | computational approach to design a polyvalent vaccine against human respiratory syncytial virus |
| url | https://doi.org/10.1038/s41598-023-35309-y |
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