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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Bibliographic Details
Published in:PloS one 2023-04, Vol.18 (4), p.e0284264-e0284264
Main Authors: Martinez-Olivares, Constanza Estefania, Hernández-Pando, Rogelio, Mixcoha, Edgar
Format: Article
Language:English
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
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Summary: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.
ISSN:1932-6203
1932-6203
DOI:10.1371/journal.pone.0284264