To enrich the virtual screening results, the best docked poses were then re-scored with the 6 inhibitor pharmacophore hypotheses and the 6 substrate pharmacophore models. Results were then ranked and filtered to prioritize molecules having the higher averaged consensus score from the 6 inhibitor pharmacophore models and the lower averaged consensus score from the 6 substrate pharmacophore models. These filtering methods, combined with the predicted binding energy cutoff of -8.5 kcal/mol led to the initial selection of 33 candidates (Table ), which was then clustered using the FragFp method of DataWarrior to reduce both chemical redundancy and the number of compounds to be tested. was selected for in vitro validation. All compounds, except for 10, were commercially available and thus were tested in vitro. The structures of the 13 purchased compounds are reported in Fig. .