The protein structures used in this research, the data was obtained from the Protein Data Bank (PDB, ), including Aspartic protease (PDB ID: 3Q70), Dihydrofolate reductase (PDB ID: 4HOF), N-myristoyltransferase (PDB ID: 1IYL), Geranylgeranyltransferase type-1 subunit alpha (PDB ID: 3DRA), and Sterol 14-alpha demethylase (PDB ID: 5TZ1). These structures were cleaned and prepared utilizing BIOVIA Discovery Studio Visualizer. During the preparation process, non-essential components like water molecules, ligands were removed to ensure a clear and accessible binding site and the active sites of the proteins were analyzed to create a molecular docking grid, defining the x, y, and z coordinates for the grid center and adjusting its dimensions to ensure accurate docking simulations.