Rational computational design and development of an immunogenic multiepitope vaccine incorporating transmembrane proteins of Staphylococcus lugdunensis.

Staphylococcus lugdunensis has emerged as a significant human pathogen, responsible for a range of infections from skin and soft tissue infections to endocarditis and bacteremia. Notably, abscess formation is a common manifestation, reflecting its potential shift from a benign skin commensal to a serious pathogen, akin to infective endocarditis. With the rising prevalence of antibiotic resistance, there is a pressing need for novel therapeutic strategies. This study addresses this need by exploring the development of an effective S. lugdunensis vaccine. Multiepitope vaccines, which incorporate various antigenic fragments from S. lugdunensis proteins, offer a promising approach to elicit a robust immune response. Computational tools are instrumental in selecting epitopes based on their predicted immunogenicity and non-toxicity. Molecular docking and molecular dynamics (MD) simulations further elucidate the interactions between vaccine constructs and immune system molecules, such as B-cell and T-cell receptors, providing detailed insights into binding affinity, specificity, and stability. This study highlights the potential of integrating multiepitope vaccine design with advanced computational methods to expedite and enhance vaccine development, addressing a critical gap amid escalating antibiotic resistance.