Next, the ligands were docked into the protein's active sites using AutoDock Vina, with all simulations run through Command Prompt to obtain binding affinity scores and root mean square deviation (RMSD) values . For each docking simulation, nine different poses were generated, and the most stable conformation, with the best binding affinity and lowest RMSD, was chosen to analyze the interactions between the ligand and receptor. Finally, Biovia Discovery Studio Visualizer was used to analyze and visualize the ligand interactions and binding orientations, and to prepare images for further study.