A multi-epitope vaccine targeting a key virulence factor ClfA: An In-silico approach to combat Staphylococcus aureus infections.

ABSTRACT: Staphylococcus aureus, a gram-positive opportunistic pathogen, presents a growing global threat due to the rise of multidrug-resistant (MDR) strains. To counter this, we designed a multi-epitope vaccine (MEV) targeting the ClfA virulence protein using an integrative in silico approach. Sixty-one conserved epitopes (19 CTL, 36 HTL, 6 LBL) were selected based on antigenicity, immunogenicity, non-toxicity, and lack of homology to human proteins. These epitopes demonstrated strong HLA-binding affinities and over 50% global population coverage, indicating broad immunological applicability. Molecular docking revealed the strongest binding between the MEV and TLR4, with a ΔG of -17.1 kcal/mol and an exceptionally low dissociation constant (2.6 × 10 ⁻ ¹² M). HADDOCK 2.4-supported docking scores co

SUBMITTER: Nirob MNH 

PROVIDER: S-EPMC12551870 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature