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J Mol Graph Model ; 132: 108848, 2024 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-39182254

RESUMO

Staphylococcus aureus is a common bacterium that causes a variety of infections in humans. This microorganism produces several virulence factors, including hemolysins, which contribute to its disease-causing ability. The treatment of S. aureus infections typically involves the use of antibiotics. However, the emergence of antibiotic-resistant strains has become a major concern. Therefore, vaccination against S. aureus has gained attention as an alternative approach. Vaccination has the advantage of stimulating the immune system to produce specific antibodies that can neutralize bacteria and prevent infection. However, developing an effective vaccine against S. aureus has proven to be challenging. This study aimed to use in silico methods to design a multi-epitope vaccine against S. aureus infection based on hemolysin proteins. The designed vaccine contained four B-cell epitopes, four CTL epitopes, and four HTL epitopes, as well as the ribosomal protein L7/L12 and pan-HLA DR-binding epitope, included as adjuvants. Furthermore, the vaccine was non-allergenic and non-toxic with the potential to stimulate the TLR2-, TLR-4, and TLR-6 receptors. The predicted vaccine exhibited a high degree of antigenicity and stability, suggesting potential for further development as a viable vaccine candidate. The population coverage of the vaccine was 94.4 %, indicating potential widespread protection against S. aureus. Overall, these findings provide valuable insights into the design of an effective multi-epitope vaccine against S. aureus infection and pave the way for future experimental validations.


Assuntos
Epitopos de Linfócito B , Proteínas Hemolisinas , Staphylococcus aureus , Proteínas Hemolisinas/imunologia , Proteínas Hemolisinas/química , Staphylococcus aureus/imunologia , Epitopos de Linfócito B/imunologia , Epitopos de Linfócito B/química , Humanos , Vacinas Antiestafilocócicas/imunologia , Vacinas Antiestafilocócicas/química , Biologia Computacional/métodos , Epitopos de Linfócito T/imunologia , Epitopos de Linfócito T/química , Infecções Estafilocócicas/imunologia , Infecções Estafilocócicas/prevenção & controle , Simulação de Acoplamento Molecular , Epitopos/imunologia , Epitopos/química , Sequência de Aminoácidos
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