The target protein's three-dimensional structure was acquired from the Protein Data Bank (PDB), using the PDB ID. The AutoDockTools (ADT) suite was used to prepare the structure for docking. Polar hydrogens were introduced into the protein structure in place of water molecules. Gasteiger charges were subsequently determined and assigned to each protein. For docking with AutoDock Vina, the generated protein structure was saved in PDBQT format. The ligand molecule was either taken from a chemical database or created with ChemSketch. The structure was optimized and stored in PDB format using a force field from molecular mechanics.