دورية أكاديمية
T cell epitope based vaccine design while targeting outer capsid proteins of rotavirus strains infecting neonates: an immunoinformatics approach.
| العنوان: | T cell epitope based vaccine design while targeting outer capsid proteins of rotavirus strains infecting neonates: an immunoinformatics approach. |
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| المؤلفون: | Sharma AD; School of Bio-Engineering and Bio-Sciences, Lovely Professional University, Punjab, India., Grewal RK; Department of Research and Innovation, STEMskills Research and Education Lab Private Limited, Faridabad, Haryana, India., Gorle S; Department of Research and Innovation, STEMskills Research and Education Lab Private Limited, Faridabad, Haryana, India., Cuspoca AF; Grupo de Investigación Epidemiología Clínica de Colombia (GRECO), Universidad Pedagógica y Tecnológica de Colombia, Tunja, Colombia.; Centro de Atención e Investigación Médica - CAIMED, Chía, Colombia., Kaushik V; School of Bio-Engineering and Bio-Sciences, Lovely Professional University, Punjab, India., Rajjak Shaikh A; Department of Research and Innovation, STEMskills Research and Education Lab Private Limited, Faridabad, Haryana, India., Cavallo L; Physical Sciences and Engineering Division, Kaust Catalysis Center, King Abdullah University of Science and Technology (KAUST), Thuwal, Saudi Arabia., Chawla M; Physical Sciences and Engineering Division, Kaust Catalysis Center, King Abdullah University of Science and Technology (KAUST), Thuwal, Saudi Arabia. |
| المصدر: | Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024 Jul; Vol. 42 (10), pp. 4937-4955. Date of Electronic Publication: 2023 Jun 29. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE |
| أسماء مطبوعة: | Publication: June 2012- : Oxon, UK : Taylor & Francis Original Publication: Guilderland, NY : Adenine Press, [c1983- |
| مواضيع طبية MeSH: | Capsid Proteins*/immunology , Capsid Proteins*/chemistry , Rotavirus*/immunology , Epitopes, T-Lymphocyte*/immunology , Epitopes, T-Lymphocyte*/chemistry , Rotavirus Infections*/prevention & control , Rotavirus Infections*/immunology , Rotavirus Infections*/virology , Rotavirus Vaccines*/immunology , Rotavirus Vaccines*/chemistry , Computational Biology*, Humans ; Infant, Newborn ; Molecular Dynamics Simulation ; Antigens, Viral/immunology ; Antigens, Viral/chemistry ; Molecular Docking Simulation ; Immunoinformatics |
| مستخلص: | Gastrointestinal diarrhea is majorly caused by the rotavirus (RV) in the children who generally are under the age group of 5 years. WHO estimates that ∼95% of the children contract RV infection, by this age. The disease is highly contagious; notably in many cases, it is proven fatal with high mortality rates especially in the developing countries. In India alone, an estimated 145,000 yearly deaths occurs due to RV related gastrointestinal diarrhea. WHO pre-qualified vaccines that are available for RV are all live attenuated vaccines with modest efficacy range between 40 and 60%. Further, the risk of intussusceptions has been reported in some children on RV vaccination. Thus, in a quest to develop alternative candidate to overcome challenges associated with these oral vaccines, we chose immunoinformatics approach to design a multi-epitope vaccine (MEV) while targeting the outer capsid viral proteinsVP4 and VP7 of the neonatal strains of rotavirus. Interestingly, ten epitopes, that is, six CD8 + T-cells and four CD4 + T-cell epitopes were identified which were predicted to be antigenic, non-allergic, non-toxic and stable. These epitopes were then linked to adjuvants, linkers, and PADRE sequences to create a multi-epitope vaccine for RV. The in silico designed RV-MEV and human TLR5 complex displayed stable interactions during molecular dynamics simulations. Further, the immune simulation studies of RV-MEV corroborated that the vaccine candidate emerges as a promising immunogen. Future investigations while performing in vitro and in vivo analyses with designed RV-MEV construct are highly desirable to warrant the potential of this vaccine candidate in protective immunity against different strains of RVs infecting neonates.Communicated by Ramaswamy H. Sarma. |
| فهرسة مساهمة: | Keywords: Gastrointestinal diarrhea in children; MD simulation; immune simulation; immunoinformatics; molecular docking; multi-epitope vaccine; neonates; rotavirus; toll like receptors (TLRs) |
| تواريخ الأحداث: | Date Created: 20230629 Date Completed: 20240519 Latest Revision: 20240519 |
| رمز التحديث: | 20240520 |
| DOI: | 10.1080/07391102.2023.2226721 |
| PMID: | 37382214 |
| قاعدة البيانات: | MEDLINE |
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Full Text Finder | تدمد: | 1538-0254 |
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| DOI: | 10.1080/07391102.2023.2226721 |