PMID- 32561294 OWN - NLM STAT- MEDLINE DCOM- 20210928 LR - 20210928 IS - 1567-7257 (Electronic) IS - 1567-1348 (Linking) VI - 85 DP - 2020 Nov TI - In silico integrative analysis predicts relevant properties of exotoxin-derived peptides for the design of vaccines against Pseudomonas aeruginosa. PG - 104424 LID - S1567-1348(20)30255-0 [pii] LID - 10.1016/j.meegid.2020.104424 [doi] AB - Pseudomonas aeruginosa (PA) is an opportunistic human pathogen responsible for causing serious infections in patients with cystic fibrosis. Infections caused by PA are difficult to treat and eradicate due to intrinsic and added resistance to antibiotic therapy. Therefore, it is necessary to establish effective prevention strategies against this infectious agent. In this study, a combination of immunoinformatic tools was applied to predict immunogenic and immunodominant regions in the structure of exotoxins commonly secreted as virulence factors in PA infection (ExoA, ExoS, ExoT, ExoU and ExoY). The peptides derived from exotoxins were evaluated for the potential affinity for human leukocyte antigen (HLA) I and HLA-II molecules, antigenicity score and toxicity profile. From an initial screening of 941 peptides, 13 (1.38%) were successful in all analyzes. The peptides with relevant immunogenic properties were mainly those derived from Exo A (10 / 76.9%). All peptides selected in the last analysis present a high population coverage rate based on the interaction of HLA alleles (95.36 +/- 7.83%). Therefore, the peptides characterized in this study are recommended for in vitro and in vivo studies and can provide the basis for the rational design of a vaccine against PA. CI - Copyright (c) 2020 Elsevier B.V. All rights reserved. FAU - Terra, Ana Clara Goncalves AU - Terra ACG AD - Department of Biochemistry and Immunology, Federal University of Minas Gerais, Minas Gerais, Brazil. FAU - Salvador, Ezequiel Aparecido AU - Salvador EA AD - Department of Biochemistry and Immunology, Federal University of Minas Gerais, Minas Gerais, Brazil. Electronic address: esalvador@ufmg.br. LA - eng PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20200616 PL - Netherlands TA - Infect Genet Evol JT - Infection, genetics and evolution : journal of molecular epidemiology and evolutionary genetics in infectious diseases JID - 101084138 RN - 0 (Bacterial Toxins) RN - 0 (Epitopes) RN - 0 (Exotoxins) RN - 0 (HLA Antigens) RN - 0 (Peptides) RN - 0 (Vaccines) RN - 0 (Virulence Factors) SB - IM MH - Amino Acid Sequence MH - Bacterial Toxins/immunology MH - Computer Simulation MH - Epitopes/chemistry/immunology MH - Exotoxins/*chemistry/*immunology MH - HLA Antigens/*chemistry/immunology MH - Humans MH - Immunogenicity, Vaccine MH - Molecular Docking Simulation MH - Peptides/*chemistry/*immunology MH - Protein Conformation MH - Pseudomonas Infections/immunology MH - Pseudomonas aeruginosa/*chemistry/*immunology MH - Vaccines/chemistry/immunology MH - Virulence Factors/chemistry/immunology OTO - NOTNLM OT - Exotoxin OT - Immunoinformatics OT - Pseudomonas aeruginosa OT - Vaccine EDAT- 2020/06/21 06:00 MHDA- 2021/09/29 06:00 CRDT- 2020/06/21 06:00 PHST- 2020/04/10 00:00 [received] PHST- 2020/05/25 00:00 [revised] PHST- 2020/06/12 00:00 [accepted] PHST- 2020/06/21 06:00 [pubmed] PHST- 2021/09/29 06:00 [medline] PHST- 2020/06/21 06:00 [entrez] AID - S1567-1348(20)30255-0 [pii] AID - 10.1016/j.meegid.2020.104424 [doi] PST - ppublish SO - Infect Genet Evol. 2020 Nov;85:104424. doi: 10.1016/j.meegid.2020.104424. Epub 2020 Jun 16.