A molecular docking–based comparison of the antifungal potential of aurantoside-G and clotrimazole

BACKGROUND: Candida infections commonly occur within the mouth. These species have the ability to create biofilms, which can develop on the oral mucosa, orthodontic wires, brackets, and denture prostheses. In the present study, Aurantoside-G isolated from the marine sponge Theonella swinhoei was compared with Clotrimazole and it was docked against prominent Candida albicans antigens. METHODS: GLIDE 4.0 modeling software was used to validate the molecular docking properties of ligands and targets in the present study. The ligands structure of Aurantoside-G and Clotrimazole were obtained from the Pubchem database and drawn using the ChemDraw package. The target protein of Candida albicans antigens δ-14-sterol reductase (4QUV) used in the present study wasobtained from the Protein Data bank. The ligands and targets were then analyzed and prepared using PymoL viewer. The GLIDE program was used to dock the ligand and target.