Thus, an analysis of the established hydrogen bonds together with their strength was carried out (the strength of each hydrogen bond can be correlated with the percentage of snapshots of the trajectory in which that bond is being established), as well as an MMGBSA energy decomposition calculation, so that we can obtain a list of those ACE2 residues that establish better interactions with SARS-CoV-2 from which we can propose pharmacophore 1, and a list with those residues showing the biggest differences when moving from SARS-CoV-1 to SARS-CoV-2, from which we can propose pharmacophore 2. Therefore, the workflow for the multi-stage virtual screening from pharmacophore biased docking with MOE will be performed 4 times: FDA database with pharmacophore 1, FDA database with pharmacophore 2, NAT database with pharmacophore 1 and NAT database with pharmacophore 2. This sums a total of 8 virtual screening workflows described below.