Affiliations 

  • 1 Universidad Autónoma de Occidente, Unidad Regional Los Mochis. Departamento Académico de Ciencias de la Salud. Blvd. Macario Gaxiola y Carretera Internacional, México 15, C.P. 81223, Los Mochis, Sinaloa, Mexico
  • 2 Atta ur Rahman School of Applied Biosciences, National University of Sciences and Technology, Islamabad, Pakistan; School of Biological Sciences, University of the Punjab, Lahore, Pakistan
  • 3 Atta ur Rahman School of Applied Biosciences, National University of Sciences and Technology, Islamabad, Pakistan; Department of Biological Sciences, National University of Medical Sciences, Rawalpindi, Pakistan
  • 4 Investigadoras e investigadores por México Centro de Investigación En Alimentación y Desarrollo A.C. Laboratorio Nacional para la Investigación en Inocuidad Alimentaria. Carretera a El Dorado km 5.5, Campo El Diez, 80110, Culiacán, Sinaloa, Mexico
  • 5 Atta ur Rahman School of Applied Biosciences, National University of Sciences and Technology, Islamabad, Pakistan
  • 6 Department of Biotechnology, University of Mianwali, Punjab, 42200, Pakistan
  • 7 Department of Applied Physics, Faculty of Science & Technology, National University of Malaysia (UKM), Selangor Malaysia, Malaysia
  • 8 Laboratorio Nacional para la Investigación en Inocuidad Alimentaria (LANIIA). Centro de Investigación en ALimentación y Desarrollo A.C. (CIAD) Unidad Culiacán, Sinaloa, México. Electronic address: jose.aguirre@ciad.mx
J Mol Graph Model, 2024 Nov;132:108848.
PMID: 39182254 DOI: 10.1016/j.jmgm.2024.108848

Abstract

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.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.