Fig. 3

Enrichment curves for Vina docking. In order to verify the virtual screening process, well known inhibitors for each of the 7 receptors were docked using QuickVina and the enrichment factor was computed for the inhibitors docking scores against the docking scores of molecules docked during modelling procedure. Enrichment factor is one of the most common index used for measuring the success of Virtual Screening. Enrichment means where the value lies in the evaluated dataset in comparison to the compared dataset. The higher the enrichment factor, the better the performance of docking in identifying known inhibitors. The black dashed line represents ideal scores, the grey dotted line in the middle represents random scores whereas the blue solid line represents the scores of the inhibitors. For most of the receptors, the results show good or satisfactory enrichment