Figures & data
Figure 4. Perspective cartoon view of DPP IV co-crystallized with cyanopyrrolidine inhibitor. [PDB code: 2G63[49]]
![Figure 4. Perspective cartoon view of DPP IV co-crystallized with cyanopyrrolidine inhibitor. [PDB code: 2G63[49]]](/cms/asset/4bbf87ac-b29a-44ff-bfb9-b2d029c70161/ienz_a_361244_f0004_b.gif)
Figure 5. Perspective cartoon view of the highest ranking binding mode of berberine, as suggested by the Chemgauss2 scoring function, docked in DPP IV. [PDB code: 2G63[49]]
![Figure 5. Perspective cartoon view of the highest ranking binding mode of berberine, as suggested by the Chemgauss2 scoring function, docked in DPP IV. [PDB code: 2G63[49]]](/cms/asset/f0ca35a9-0903-4cb2-af57-0de53323ca92/ienz_a_361244_f0005_b.gif)
Figure 6. Detailed view of the docked berberine structure and the corresponding interacting amino-acid moieties within the binding site of DPP IV. [PDB code: 2G63[49]]
![Figure 6. Detailed view of the docked berberine structure and the corresponding interacting amino-acid moieties within the binding site of DPP IV. [PDB code: 2G63[49]]](/cms/asset/d6b5a19f-a267-45bd-900f-6ac3be3bf4a9/ienz_a_361244_f0006_b.gif)
Figure 7. The highest ranking binding mode of the cyanopyrolidine inhibitor as suggested by the docking-scoring conditions. (A) Detailed view of the docked structure and the corresponding interacting amino-acids. (B) Comparison between the docked conformer/pose of inhibitor cyanopyrolidine (green) as produced by the docking simulation and the crystallographic structure of this inhibitor within DPP IV (red, PDB code: 2G63).
![Figure 7. The highest ranking binding mode of the cyanopyrolidine inhibitor as suggested by the docking-scoring conditions. (A) Detailed view of the docked structure and the corresponding interacting amino-acids. (B) Comparison between the docked conformer/pose of inhibitor cyanopyrolidine (green) as produced by the docking simulation and the crystallographic structure of this inhibitor within DPP IV (red, PDB code: 2G63).](/cms/asset/b036b03c-830a-44a3-8a94-c0c9be778905/ienz_a_361244_f0007_b.gif)