| Title : Discovery of new binding elements in DPP-4 inhibition and their applications in novel DPP-4 inhibitor design - Liang_2008_Bioorg.Med.Chem.Lett_18_3706 |
| Author(s) : Liang GB , Qian X , Biftu T , Singh S , Gao YD , Scapin G , Patel S , Leiting B , Patel R , Wu J , Zhang X , Thornberry NA , Weber AE |
| Ref : Bioorganic & Medicinal Chemistry Lett , 18 :3706 , 2008 |
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Abstract :
Probing with tool molecules, and by modeling and X-ray crystallography the binding modes of two structurally distinct series of DPP-4 inhibitors led to the discovery of a rare aromatic fluorine H-bond and the spatial requirement for better biaryl binding in the DPP-4 enzyme active site. These newly found binding elements were successfully incorporated into novel DPP-4 inhibitors. |
| PubMedSearch : Liang_2008_Bioorg.Med.Chem.Lett_18_3706 |
| PubMedID: 18524582 |
| Gene_locus related to this paper: human-DPP4 |
| Inhibitor | DB07181 |
| Gene_locus | human-DPP4 |
| Structure | 3D4L |
Liang GB, Qian X, Biftu T, Singh S, Gao YD, Scapin G, Patel S, Leiting B, Patel R, Wu J, Zhang X, Thornberry NA, Weber AE (2008)
Discovery of new binding elements in DPP-4 inhibition and their applications in novel DPP-4 inhibitor design
Bioorganic & Medicinal Chemistry Lett
18 :3706
Liang GB, Qian X, Biftu T, Singh S, Gao YD, Scapin G, Patel S, Leiting B, Patel R, Wu J, Zhang X, Thornberry NA, Weber AE (2008)
Bioorganic & Medicinal Chemistry Lett
18 :3706