Rational design of a novel, potent, and orally bioavailable cyclohexylamine DPP-4 inhibitor by application of molecular modeling and X-ray crystallography of sitagliptin.

Biftu, Tesfaye; Scapin, Giovanna; Singh, Suresh; Feng, Dennis; Becker, Joe W; Eiermann, George; He, Huaibing; Lyons, Kathy; Patel, Sangita; Petrov, Aleksandr; Sinha-Roy, Ranabir; Zhang, Bei; Wu, Joseph; Zhang, Xiaoping; Doss, George A; Thornberry, Nancy A; Weber, Ann E

Biftu, Tesfaye; Scapin, Giovanna; Singh, Suresh; Feng, Dennis; Becker, Joe W; Eiermann, George; He, Huaibing; Lyons, Kathy; Patel, Sangita; Petrov, Aleksandr; Sinha-Roy, Ranabir; Zhang, Bei; Wu, Joseph; Zhang, Xiaoping; Doss, George A; Thornberry, Nancy A; Weber, Ann E.

Affiliation

Biftu T; Department of Medicinal Chemistry, Merck Research Laboratories, Merck & Co., Inc., PO Box 2000, Rahway, NJ 07065, USA. Tesfaye_Biftu@merck.com

Bioorg Med Chem Lett ; 17(12): 3384-7, 2007 Jun 15.

Article in En | MEDLINE | ID: mdl-17433672

Subject(s)

Adenosine Deaminase Inhibitors; Cyclohexylamines/chemistry; Dipeptidyl-Peptidase IV Inhibitors; Glycoproteins/antagonists & inhibitors; HIV Protease Inhibitors/pharmacology; Pyrazines/pharmacology; Triazoles/pharmacology; Administration, Oral; Binding Sites; Crystallography, X-Ray; Dipeptidyl Peptidase 4; Drug Design; HIV Protease Inhibitors/chemical synthesis; Humans; Inhibitory Concentration 50; Models, Chemical; Models, Molecular; Pyrazines/chemistry; Sitagliptin Phosphate; Triazoles/chemistry

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Collection: 01-internacional Database: MEDLINE Main subject: Pyrazines / Triazoles / Glycoproteins / HIV Protease Inhibitors / Cyclohexylamines / Dipeptidyl-Peptidase IV Inhibitors / Adenosine Deaminase Inhibitors Limits: Humans Language: En Journal: Bioorg Med Chem Lett Journal subject: BIOQUIMICA / QUIMICA Year: 2007 Document type: Article Affiliation country: United States Country of publication: United kingdom

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