| Title : Modeling assisted rational design of novel, potent, and selective pyrrolopyrimidine DPP-4 inhibitors - Gao_2007_Bioorg.Med.Chem.Lett_17_3877 |
| Author(s) : Gao YD , Feng D , Sheridan RP , Scapin G , Patel SB , Wu JK , Zhang X , Sinha-Roy R , Thornberry NA , Weber AE , Biftu T |
| Ref : Bioorganic & Medicinal Chemistry Lett , 17 :3877 , 2007 |
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Abstract :
Molecular modeling was used to improve potency of the cyclohexylamine series. In addition, a 3-D QSAR method was used to gain insight for reducing off-target DPP-8/9 activities. Compounds 3, 4, and 5 were synthesized and found to be potent DPP-4 inhibitors, in particular 4 and 5 are designed to be highly selective against off-target DASH enzymes while maintaining potency on DPP-4. |
| PubMedSearch : Gao_2007_Bioorg.Med.Chem.Lett_17_3877 |
| PubMedID: 17502141 |
Gao YD, Feng D, Sheridan RP, Scapin G, Patel SB, Wu JK, Zhang X, Sinha-Roy R, Thornberry NA, Weber AE, Biftu T (2007)
Modeling assisted rational design of novel, potent, and selective pyrrolopyrimidine DPP-4 inhibitors
Bioorganic & Medicinal Chemistry Lett
17 :3877
Gao YD, Feng D, Sheridan RP, Scapin G, Patel SB, Wu JK, Zhang X, Sinha-Roy R, Thornberry NA, Weber AE, Biftu T (2007)
Bioorganic & Medicinal Chemistry Lett
17 :3877