دورية أكاديمية
Immunoinformatics and structural aided approach to develop multi-epitope based subunit vaccine against Mycobacterium tuberculosis.
العنوان: | Immunoinformatics and structural aided approach to develop multi-epitope based subunit vaccine against Mycobacterium tuberculosis. |
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المؤلفون: | Sethi G; Department of Predictive Toxicology, Korea Institute of Toxicology (KIT), Daejeon, Republic of Korea.; Animal Model Research Group, Korea Institute of Toxicology, 30 Baehak 1-gil, Jeonguep, Jeollabuk-do, 56212, Republic of Korea., Varghese RP; Department of Bioinformatics, Pondicherry University, Puducherry, 605014, India., Lakra AK; Translational Health Science and Technology Institute, Faridabad, Haryana, 121001, India., Nayak SS; Department of Bioinformatics, Pondicherry University, Puducherry, 605014, India., Krishna R; Department of Bioinformatics, Pondicherry University, Puducherry, 605014, India. ramadaskr@gmail.com., Hwang JH; Animal Model Research Group, Korea Institute of Toxicology, 30 Baehak 1-gil, Jeonguep, Jeollabuk-do, 56212, Republic of Korea. jeongho.hwang@kitox.re.kr. |
المصدر: | Scientific reports [Sci Rep] 2024 Jul 10; Vol. 14 (1), pp. 15923. Date of Electronic Publication: 2024 Jul 10. |
نوع المنشور: | Journal Article |
اللغة: | English |
بيانات الدورية: | Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE |
أسماء مطبوعة: | Original Publication: London : Nature Publishing Group, copyright 2011- |
مواضيع طبية MeSH: | Epitopes, T-Lymphocyte*/immunology , Immunoinformatics*/methods , Mycobacterium tuberculosis*/immunology , Tuberculosis Vaccines*/immunology , Vaccines, Subunit*/immunology, Humans ; Antigens, Bacterial/immunology ; Epitopes, B-Lymphocyte/immunology ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Toll-Like Receptor 2/immunology ; Tuberculosis/prevention & control ; Tuberculosis/immunology |
مستخلص: | Tuberculosis is a highly contagious disease caused by Mycobacterium tuberculosis (Mtb), which is one of the prominent reasons for the death of millions worldwide. The bacterium has a substantially higher mortality rate than other bacterial diseases, and the rapid rise of drug-resistant strains only makes the situation more concerning. Currently, the only licensed vaccine BCG (Bacillus Calmette-Guérin) is ineffective in preventing adult pulmonary tuberculosis prophylaxis and latent tuberculosis re-activation. Therefore, there is a pressing need to find novel and safe vaccines that provide robust immune defense and have various applications. Vaccines that combine epitopes from multiple candidate proteins have been shown to boost immunity against Mtb infection. This study applies an immunoinformatic strategy to generate an adequate multi-epitope immunization against Mtb employing five antigenic proteins. Potential B-cell, cytotoxic T lymphocyte, and helper T lymphocyte epitopes were speculated from the intended proteins and coupled with 50 s ribosomal L7/L12 adjuvant, and the vaccine was constructed. The vaccine's physicochemical profile demonstrates antigenic, soluble, and non-allergic. In the meantime, docking, molecular dynamics simulations, and essential dynamics analysis revealed that the multi-epitope vaccine structure interacted strongly with Toll-like receptors (TLR2 and TLR3). MM-PBSA analysis was performed to ascertain the system's intermolecular binding free energies accurately. The immune simulation was applied to the vaccine to forecast its immunogenic profile. Finally, in silico cloning was used to validate the vaccine's efficacy. The immunoinformatics analysis suggests the multi-epitope vaccine could induce specific immune responses, making it a potential candidate against Mtb. However, validation through the in-vivo study of the developed vaccine is essential to assess its efficacy and immunogenicity profile, which will assure active protection against Mtb. (© 2024. The Author(s).) |
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معلومات مُعتمدة: | CRC21022 National Research Council of Science and Technology |
فهرسة مساهمة: | Keywords: Mycobacterium tuberculosis; Docking; In silico cloning; Molecular dynamics simulation; Multi-epitope vaccine |
المشرفين على المادة: | 0 (Antigens, Bacterial) 0 (Epitopes, B-Lymphocyte) 0 (Epitopes, T-Lymphocyte) 0 (Toll-Like Receptor 2) 0 (Tuberculosis Vaccines) 0 (Vaccines, Subunit) |
تواريخ الأحداث: | Date Created: 20240710 Date Completed: 20240710 Latest Revision: 20240801 |
رمز التحديث: | 20240802 |
مُعرف محوري في PubMed: | PMC11237054 |
DOI: | 10.1038/s41598-024-66858-5 |
PMID: | 38987613 |
قاعدة البيانات: | MEDLINE |
تدمد: | 2045-2322 |
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DOI: | 10.1038/s41598-024-66858-5 |