| Title : Anagliptin, a potent dipeptidyl peptidase IV inhibitor: its single-crystal structure and enzyme interactions - Watanabe_2015_J.Enzyme.Inhib.Med.Chem_30_981 |
| Author(s) : Watanabe YS , Yasuda Y , Kojima Y , Okada S , Motoyama T , Takahashi R , Oka M |
| Ref : J Enzyme Inhib Med Chem , 30 :981 , 2015 |
|
Abstract :
The single-crystal structure of anagliptin, N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methyl pyrazolo[1,5-a]pyrimidine-6-carboxamide, was determined. Two independent molecules were held together by intermolecular hydrogen bonds, and the absolute configuration of the 2-cyanopyrrolidine ring delivered from l-prolinamide was confirmed to be S. The interactions of anagliptin with DPP-4 were clarified by the co-crystal structure solved at 2.85 A resolution. Based on the structure determined by X-ray crystallography, the potency and selectivity of anagliptin were discussed, and an SAR study using anagliptin derivatives was performed. |
| PubMedSearch : Watanabe_2015_J.Enzyme.Inhib.Med.Chem_30_981 |
| PubMedID: 26147347 |
| Gene_locus related to this paper: human-DPP4 |
| Inhibitor | Anagliptin |
| Gene_locus | human-DPP4 |
| Structure | 3WQH |
Watanabe YS, Yasuda Y, Kojima Y, Okada S, Motoyama T, Takahashi R, Oka M (2015)
Anagliptin, a potent dipeptidyl peptidase IV inhibitor: its single-crystal structure and enzyme interactions
J Enzyme Inhib Med Chem
30 :981
Watanabe YS, Yasuda Y, Kojima Y, Okada S, Motoyama T, Takahashi R, Oka M (2015)
J Enzyme Inhib Med Chem
30 :981