دورية أكاديمية
Computational vaccinology guided design of multi-epitope subunit vaccine against a neglected arbovirus of the Americas.
| العنوان: | Computational vaccinology guided design of multi-epitope subunit vaccine against a neglected arbovirus of the Americas. |
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| المؤلفون: | da Silva MK; Departamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande do Norte, Natal, RN, Brazil., Azevedo AAC; Departamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande do Norte, Natal, RN, Brazil., Campos DMO; Departamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande do Norte, Natal, RN, Brazil., de Souto JT; Departamento de Microbiologia e Parasitologia, Universidade Federal do Rio Grande do Norte, Natal, RN, Brazil., Fulco UL; Departamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande do Norte, Natal, RN, Brazil., Oliveira JIN; Departamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande do Norte, Natal, RN, Brazil. |
| المصدر: | Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023 May; Vol. 41 (8), pp. 3321-3338. Date of Electronic Publication: 2022 Mar 14. |
| نوع المنشور: | Journal Article; Research Support, Non-U.S. Gov't |
| 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: | Arboviruses*, Molecular Docking Simulation ; Vaccinology/methods ; Epitopes, T-Lymphocyte ; Vaccines, Subunit ; Computational Biology/methods ; Epitopes, B-Lymphocyte |
| مستخلص: | Mayaro virus (MAYV) is an arbovirus found in the Americas that can cause debilitating arthritogenic disease. Although it is an emerging virus, the only current approach is vector control, as there are no approved vaccines to prevent MAYV infection nor therapeutics to treat it. In search of an effective vaccine candidate against MAYV, we used immunoinformatics and molecular modeling to attempt to identify promiscuous T-cell epitopes of the nonstructural polyproteins (nsP1, nsP2, nsP3, and nsP4) from 127 MAYV genomes sequenced in the Americas (08 Bolivia, 72 Brazil, 04 French Guiana, 05 Haiti, 20 Peru, 04 Trinidad and Tobago, and 14 Venezuela). For this purpose, consensus sequences of 360 proteins were used to identify short protein sequences that can bind to MHC I class (MHC II). Our analysis revealed 56 potential MHC-I/TCD8+ (29 MHC-II/TCD4+) epitopes, but only 6 (16) TCD8+ (TCD4+) epitopes showed high antigenicity and conservation, non-allergenicity, non-toxicity, and excellent population coverage. Finally, classical and quantum mechanical calculations (QM:MM) were used to improve the quality of the docking calculations, with the QM part of the simulations performed using the density functional theory formalism (DFT). These results provide insights for the advancement of diagnostic platforms, vaccine development, and immunotherapeutic interventions.Communicated by Ramaswamy H. Sarma. |
| فهرسة مساهمة: | Keywords: MHC Class I and II; Mayaro virus; QM:MM; epitope prediction; immunoinformatics |
| المشرفين على المادة: | 0 (Epitopes, T-Lymphocyte) 0 (Vaccines, Subunit) 0 (Epitopes, B-Lymphocyte) |
| تواريخ الأحداث: | Date Created: 20220314 Date Completed: 20230502 Latest Revision: 20230503 |
| رمز التحديث: | 20230503 |
| DOI: | 10.1080/07391102.2022.2050301 |
| PMID: | 35285772 |
| قاعدة البيانات: | MEDLINE |
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Full Text Finder | تدمد: | 1538-0254 |
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| DOI: | 10.1080/07391102.2022.2050301 |