Evaluation of the Antigenic Potential of Epitopes Derived From <i>Leishmania braziliensis</i>

<b>Background:</b> Leishmaniasis is a neglected tropical disease caused by protozoa of the genus Leishmania, predominantly affecting populations with limited socioeconomic resources. <i>Leishmania (V.) braziliensis</i> is one of the primary etiological agents for cutaneous leishmaniasis (CL) in Brazil. This study aims to evaluate the interactions between IgG antibodies and 10 antigens derived from <i>L braziliensis</i> for diagnostic applications. These antigens were selected using in silico reverse vaccinology approaches, based on previous research conducted by our group. <b>Methods:</b> A total of 124 IgG antibody structures were retrieved from the SAbDab database. Antigen-antibody (Ag-Ab) complexes were subjected to molecular docking analyses using the SnugDock protocol implemented in the Rosetta platform. In parallel, enzyme-linked immunosorbent assays (ELISA) were performed to assess the diagnostic performance of the selected peptides in detecting active CL. <b>Results:</b> Peptides VIII, VI, V, and I showed the most favorable docking scores, indicating a higher predicted binding affinity with IgG. In ELISA assays, sensitivity values ranged from 0% to 96%, whereas specificity varied from 29% to 86%. Peptides III, IV, and V demonstrated the highest sensitivity, achieving values of 96%, 96%, and 94%, respectively. <b>Conclusions:</b> Considering both in silico and in vitro results, peptides IV and V corroborate significatively, demonstrating higher predicted affinity (more negative docking score values) with the set of antibodies (Ab) used in calculations.