In silico EsxG·EsxH Rational Epitope Selection: Candidate Epitopes for Vaccine Design against Pulmonary Tuberculosis

Abstract

Rational design of new vaccines against pulmonary tuberculosis is imperative. EsxG{middle dot}EsxH complex is 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 {micro}s 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.