To achieve more rigorous, quantitative insights, future studies should employ more precise computational techniques, such as advanced ab initio QM, QM/MM, or state-of-the-art MD-based methods. For this purpose, all necessary intermediate results are provided in the Supplementary Material, including fully prepared protein structures, four CSV files listing the top 300 docking hits, and four multi-molecular SDF files containing the docked geometries of these top 300 natural products. These data enable immediate initiation of higher-level refinement studies, and I encourage other research groups to undertake such investigations. Moreover, experimental validation of our predicted IDO1 inhibitors by experimental laboratories would be highly valuable to confirm their therapeutic potential.