As explained in the Methods section, a multistage virtual screening protocol was performed in order to select a relatively small number of poses to be manually analyzed and to obtain a list of compounds to be experimentally tested. Thus, we used QVina to dock the FDA and NAT databases on the 2 centroids of the clusters found from the MD trajectory, and we used MOE to run a pharmacophore guided docking using 2 different pharmacophores and the centroid of cluster 1 as reference structure. Figure allows to visualize how the number of poses diminishes as the computational requirements of each stage increase. One has to take into account that the number of poses does not necessarily equal the number of compounds, as in some cases different poses of the same ligand are considered. As an example, the docking with QVina of the FDA database (919 poses) allowed to select 553 to proceed to the MMGBSA and MMPBSA one-snapshot calculation, from which 133 poses were selected to pass to the next stage. Then, an MMGBSA Gibbs free energy versus time analysis of a 100 ns trajectory of the 133 poses allow to select 83 poses which will be simulated 100 ns more. These 200 ns filtered from 83 to 30 the number of poses subjected to a total of 500 ns of MD simulation, from our script automatically selected 11 poses. We also individually visualized each of the 30 500 ns MD runs to finally select 6 poses. This procedure has allowed to select 48 poses out of 2791 to be further analyzed. Thus, Tables 4-6 allowed us to obtain a list of ten compounds to be experimentally essayed against SARS-CoV-2. We have manually selected these compounds taking together into account the values of LE, the establishment of strong hydrogen bonds, and also trying to propose candidates from both databases and both docking procedures. Taking all these into account the compounds essayed were glyburide, clofoctol, garenoxacin, telmisartan and pazopanib from the FDA database, and fenretidine, fisetin, glycochenodeoxycholic acid, engeletin and estradiol cypionate from the NAT database.