PMID- 37512820 OWN - NLM STAT- PubMed-not-MEDLINE LR - 20231102 IS - 2076-2607 (Print) IS - 2076-2607 (Electronic) IS - 2076-2607 (Linking) VI - 11 IP - 7 DP - 2023 Jun 24 TI - Design of a Multi-Epitope Vaccine against Tuberculosis from Mycobacterium tuberculosis PE_PGRS49 and PE_PGRS56 Proteins by Reverse Vaccinology. LID - 10.3390/microorganisms11071647 [doi] LID - 1647 AB - Tuberculosis is a disease caused by Mycobacterium tuberculosis, representing the second leading cause of death by an infectious agent worldwide. The available vaccine against this disease has insufficient coverage and variable efficacy, accounting for a high number of cases worldwide. In fact, an estimated third of the world's population has a latent infection. Therefore, developing new vaccines is crucial to preventing it. In this study, the highly antigenic PE_PGRS49 and PE_PGRS56 proteins were analyzed. These proteins were used for predicting T- and B-cell epitopes and for human leukocyte antigen (HLA) protein binding efficiency. Epitopes GGAGGNGSLSS, FAGAGGQGGLGG, GIGGGTQSATGLG (PE_PGRS49), and GTGWNGGKGDTG (PE_PGRS56) were selected based on their best physicochemical, antigenic, non-allergenic, and non-toxic properties and coupled to HLA I and HLA II structures for in silico assays. A construct with an adjuvant (RS09) plus each epitope joined by GPGPG linkers was designed, and the stability of the HLA-coupled construct was further evaluated by molecular dynamics simulations. Although experimental and in vivo studies are still necessary to ensure its protective effect against the disease, this study shows that the vaccine construct is dynamically stable and potentially effective against tuberculosis. FAU - Ruaro-Moreno, Maritriny AU - Ruaro-Moreno M AUID- ORCID: 0000-0002-2066-4133 AD - Departamento de Microbiologia, Escuela Nacional de Ciencias Biologicas, Instituto Politecnico Nacional (IPN), Mexico City 11340, Mexico. AD - Posgrado en Biomedicina y Biotecnologia Molecular, Escuela Nacional de Ciencias Biologicas, Instituto Politecnico Nacional (IPN), Mexico City 11340, Mexico. FAU - Monterrubio-Lopez, Gloria Paulina AU - Monterrubio-Lopez GP AUID- ORCID: 0000-0002-2651-3977 AD - Departamento de Microbiologia, Escuela Nacional de Ciencias Biologicas, Instituto Politecnico Nacional (IPN), Mexico City 11340, Mexico. FAU - Reyes-Gastellou, Abraham AU - Reyes-Gastellou A AUID- ORCID: 0000-0003-2676-4183 AD - Departamento de Microbiologia, Escuela Nacional de Ciencias Biologicas, Instituto Politecnico Nacional (IPN), Mexico City 11340, Mexico. FAU - Castelan-Vega, Juan Arturo AU - Castelan-Vega JA AUID- ORCID: 0000-0003-1102-2101 AD - Departamento de Microbiologia, Escuela Nacional de Ciencias Biologicas, Instituto Politecnico Nacional (IPN), Mexico City 11340, Mexico. AD - Posgrado en Biomedicina y Biotecnologia Molecular, Escuela Nacional de Ciencias Biologicas, Instituto Politecnico Nacional (IPN), Mexico City 11340, Mexico. FAU - Jimenez-Alberto, Alicia AU - Jimenez-Alberto A AUID- ORCID: 0000-0002-7127-0791 AD - Departamento de Microbiologia, Escuela Nacional de Ciencias Biologicas, Instituto Politecnico Nacional (IPN), Mexico City 11340, Mexico. AD - Posgrado en Biomedicina y Biotecnologia Molecular, Escuela Nacional de Ciencias Biologicas, Instituto Politecnico Nacional (IPN), Mexico City 11340, Mexico. FAU - Aparicio-Ozores, Gerardo AU - Aparicio-Ozores G AD - Departamento de Microbiologia, Escuela Nacional de Ciencias Biologicas, Instituto Politecnico Nacional (IPN), Mexico City 11340, Mexico. AD - Posgrado en Biomedicina y Biotecnologia Molecular, Escuela Nacional de Ciencias Biologicas, Instituto Politecnico Nacional (IPN), Mexico City 11340, Mexico. FAU - Delgadillo-Gutierrez, Karen AU - Delgadillo-Gutierrez K AUID- ORCID: 0000-0002-5353-8192 AD - Departamento de Microbiologia, Escuela Nacional de Ciencias Biologicas, Instituto Politecnico Nacional (IPN), Mexico City 11340, Mexico. FAU - Gonzalez-Y-Merchand, Jorge Alberto AU - Gonzalez-Y-Merchand JA AD - Posgrado en Biomedicina y Biotecnologia Molecular, Escuela Nacional de Ciencias Biologicas, Instituto Politecnico Nacional (IPN), Mexico City 11340, Mexico. FAU - Ribas-Aparicio, Rosa Maria AU - Ribas-Aparicio RM AUID- ORCID: 0000-0002-1141-2794 AD - Departamento de Microbiologia, Escuela Nacional de Ciencias Biologicas, Instituto Politecnico Nacional (IPN), Mexico City 11340, Mexico. AD - Posgrado en Biomedicina y Biotecnologia Molecular, Escuela Nacional de Ciencias Biologicas, Instituto Politecnico Nacional (IPN), Mexico City 11340, Mexico. LA - eng GR - SIP-20221624, SIP-20232106, SIP-20221962, SIP-20231999, SIP-20221987, SIP-20232094, SIP-20221948 and SIP-20232124/Instituto Politecnico Nacional/ PT - Journal Article DEP - 20230624 PL - Switzerland TA - Microorganisms JT - Microorganisms JID - 101625893 PMC - PMC10385543 OTO - NOTNLM OT - B- and T-cell epitope prediction OT - computational vaccinology OT - tuberculosis OT - vaccine COIS- The authors declare no conflict of interest. EDAT- 2023/07/29 11:47 MHDA- 2023/07/29 11:48 PMCR- 2023/06/24 CRDT- 2023/07/29 01:32 PHST- 2023/05/08 00:00 [received] PHST- 2023/06/12 00:00 [revised] PHST- 2023/06/14 00:00 [accepted] PHST- 2023/07/29 11:48 [medline] PHST- 2023/07/29 11:47 [pubmed] PHST- 2023/07/29 01:32 [entrez] PHST- 2023/06/24 00:00 [pmc-release] AID - microorganisms11071647 [pii] AID - microorganisms-11-01647 [pii] AID - 10.3390/microorganisms11071647 [doi] PST - epublish SO - Microorganisms. 2023 Jun 24;11(7):1647. doi: 10.3390/microorganisms11071647.