Structural and Evolutionary Analyses of Leishmania Alba Proteins.

•Structural and mutational analysis of Alba3 and Alba1 indicated that these proteins have interesting characteristics for drug design.•The analysis of ligand binding hotspot of LiAlba3 indicated that some residues from RGG-box motif could be considered crucial for ligand binding.•A virtual screening showed that avobenzone interact with the RGG-box and disrupted the complex stability and impair the LiAlba3 activity.•The phylogenetic analysis revealed that Alba1 and Alba3 genes are conserved across all Leishmania species.