Identification of Novel Human Dipeptidyl Peptidase-IV Inhibitors of Natural Origin (Part I): Virtual Screening and Activity Assays
Figure 5
Chemical structures and ZINC codes for the 9 molecules selected for experimentally testing whether these compounds exhibited DPP-IV inhibitory activity.
The insolubility of C4 and C6 prevented these compounds from being assayed for DPP-IV inhibitory activity. Positions in the C5 structure that will be replaced by substituents to identify derivatives with higher binding affinity on the DPP-IV binding site are (a) indicated with a grey background and (b) annotated with the label of the corresponding site in the common structure-based pharmacophore (see Figure 3).