Molecular Docking Analysis of Anti-Candida albicans Biomarkers in Sulawesi Propolis Against Secreted Aspartic Proteinase-5

摘要

Candida albicans is an opportunistic pathogen which can cause conditions ranging from simple infections to death in immunosuppressed patients. The microorganism has virulence factors which allied to decrease host immunity response and make infection significantly by Secreted Aspartic Proteinase-5. However, the existing candidiasis drugs were less effective and emerge resistances due to the increase of drug exposure to the patients. Recently, Sulawesi propolis was known to have antimicrobial activity by the presence of flavonoids. The potentiality was then explored by in silico approach by the help of AutoDock Tools 1.5.6 to prepare the materials, AutoDock Vina to compute binding affinities and Ligplot to visualize the molecular interaction profile. The study revealed that Curcumene found to be the most potent inhibitor of SAP5 with docking score of −6.5 kcal/mol by means of a key residue Threonine 222.