In silico EsxG EsxH rational epitope selection: Candidate epitopes for vaccine design against pulmonary tuberculosis
Rational design of new vaccines against pulmonary tuberculosis is imperative. Early secreted antigens (Esx) G and H are involved in metal uptake, drug resistance, and immune response evasion. These characteristics make it an ideal target for rational vaccine development. The aim of this study is to...
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| Veröffentlicht in: | PloS one 2023-04, Vol.18 (4), p.e0284264-e0284264 |
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| creator | Martinez-Olivares, Constanza Estefania Hernández-Pando, Rogelio Mixcoha, Edgar |
| description | Rational design of new vaccines against pulmonary tuberculosis is imperative. Early secreted antigens (Esx) G and H are involved in metal uptake, drug resistance, and immune response evasion. These characteristics make it an ideal target for rational vaccine development. The aim of this study is to show the rational design of epitope-based peptide vaccines by using bioinformatics and structural vaccinology tools. A total of 4.15 μs of Molecular Dynamics simulations were carried out to describe the behavior in solution of heterodimer, single epitopes, and epitopes loaded into MHC-II complexes. In order to predict T and B cell epitopes for antigenic activation, bioinformatic tools were used. Hence, we propose three epitopes with the potential to design pulmonary tuberculosis vaccines. The possible use of the proposed epitopes includes subunit vaccines, as a booster in BCG vaccination to improve its immune response, as well as the generation of antibodies that interfere with the Mycobacterium tuberculosis homeostasis, affecting its survival. |
| doi_str_mv | 10.1371/journal.pone.0284264 |
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Early secreted antigens (Esx) G and H are involved in metal uptake, drug resistance, and immune response evasion. These characteristics make it an ideal target for rational vaccine development. The aim of this study is to show the rational design of epitope-based peptide vaccines by using bioinformatics and structural vaccinology tools. A total of 4.15 μs of Molecular Dynamics simulations were carried out to describe the behavior in solution of heterodimer, single epitopes, and epitopes loaded into MHC-II complexes. In order to predict T and B cell epitopes for antigenic activation, bioinformatic tools were used. Hence, we propose three epitopes with the potential to design pulmonary tuberculosis vaccines. The possible use of the proposed epitopes includes subunit vaccines, as a booster in BCG vaccination to improve its immune response, as well as the generation of antibodies that interfere with the Mycobacterium tuberculosis homeostasis, affecting its survival.</description><identifier>ISSN: 1932-6203</identifier><identifier>EISSN: 1932-6203</identifier><identifier>DOI: 10.1371/journal.pone.0284264</identifier><identifier>PMID: 37079575</identifier><language>eng</language><publisher>United States: Public Library of Science</publisher><subject>Analysis ; Antibodies ; Antigenic determinants ; Antigens ; Bioinformatics ; Biology and Life Sciences ; Cell activation ; Computational Biology ; Coronaviruses ; Design ; Drug resistance ; Epitopes ; Epitopes, B-Lymphocyte ; Epitopes, T-Lymphocyte ; Health aspects ; Homeostasis ; Humans ; Immune response ; Immune system ; Immunology ; Infections ; Major histocompatibility complex ; Medicine and Health Sciences ; Metals ; Molecular Docking Simulation ; Molecular dynamics ; Mycobacterium tuberculosis ; Pathogens ; Physical Sciences ; Proteins ; Research and Analysis Methods ; Servers ; Simulation ; Tuberculosis ; Tuberculosis vaccines ; Tuberculosis, Pulmonary - prevention & control ; Vaccine Development ; Vaccines ; Vaccines, Subunit</subject><ispartof>PloS one, 2023-04, Vol.18 (4), p.e0284264-e0284264</ispartof><rights>Copyright: © 2023 Martinez-Olivares et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.</rights><rights>COPYRIGHT 2023 Public Library of Science</rights><rights>2023 Martinez-Olivares et al. This is an open access article distributed under the terms of the Creative Commons Attribution License: http://creativecommons.org/licenses/by/4.0/ (the “License”), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><rights>2023 Martinez-Olivares et al 2023 Martinez-Olivares et al</rights><rights>2023 Martinez-Olivares et al. 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Early secreted antigens (Esx) G and H are involved in metal uptake, drug resistance, and immune response evasion. These characteristics make it an ideal target for rational vaccine development. The aim of this study is to show the rational design of epitope-based peptide vaccines by using bioinformatics and structural vaccinology tools. A total of 4.15 μs of Molecular Dynamics simulations were carried out to describe the behavior in solution of heterodimer, single epitopes, and epitopes loaded into MHC-II complexes. In order to predict T and B cell epitopes for antigenic activation, bioinformatic tools were used. Hence, we propose three epitopes with the potential to design pulmonary tuberculosis vaccines. 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Early secreted antigens (Esx) G and H are involved in metal uptake, drug resistance, and immune response evasion. These characteristics make it an ideal target for rational vaccine development. The aim of this study is to show the rational design of epitope-based peptide vaccines by using bioinformatics and structural vaccinology tools. A total of 4.15 μs of Molecular Dynamics simulations were carried out to describe the behavior in solution of heterodimer, single epitopes, and epitopes loaded into MHC-II complexes. In order to predict T and B cell epitopes for antigenic activation, bioinformatic tools were used. Hence, we propose three epitopes with the potential to design pulmonary tuberculosis vaccines. The possible use of the proposed epitopes includes subunit vaccines, as a booster in BCG vaccination to improve its immune response, as well as the generation of antibodies that interfere with the Mycobacterium tuberculosis homeostasis, affecting its survival.</abstract><cop>United States</cop><pub>Public Library of Science</pub><pmid>37079575</pmid><doi>10.1371/journal.pone.0284264</doi><tpages>e0284264</tpages><orcidid>https://orcid.org/0000-0001-8693-1559</orcidid><orcidid>https://orcid.org/0000-0001-5128-7695</orcidid><oa>free_for_read</oa></addata></record> |
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| subjects | Analysis Antibodies Antigenic determinants Antigens Bioinformatics Biology and Life Sciences Cell activation Computational Biology Coronaviruses Design Drug resistance Epitopes Epitopes, B-Lymphocyte Epitopes, T-Lymphocyte Health aspects Homeostasis Humans Immune response Immune system Immunology Infections Major histocompatibility complex Medicine and Health Sciences Metals Molecular Docking Simulation Molecular dynamics Mycobacterium tuberculosis Pathogens Physical Sciences Proteins Research and Analysis Methods Servers Simulation Tuberculosis Tuberculosis vaccines Tuberculosis, Pulmonary - prevention & control Vaccine Development Vaccines Vaccines, Subunit |
| title | In silico EsxG EsxH rational epitope selection: Candidate epitopes for vaccine design against pulmonary tuberculosis |
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