Bioorganic & medicinal chemistry, 2008-07, Vol.18 (13), p.3706-3710
2008
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Details
- Autor(en) / Beteiligte
- Titel
- Discovery of new binding elements in DPP-4 inhibition and their applications in novel DPP-4 inhibitor design
- Ist Teil von
- Bioorganic & medicinal chemistry, 2008-07, Vol.18 (13), p.3706-3710
- Ort / Verlag
- Oxford: Elsevier Ltd
- Erscheinungsjahr
- 2008
- Quelle
- MEDLINE
- Beschreibungen/Notizen
- The newly discovered aromatic fluorine H-bond and other binding elements in the DPP-4 inhibition were successfully incorporated into novel DPP-4 inhibitors such as 20a. 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.
- Sprache
- Englisch
- Identifikatoren
- ISSN: 0960-894X, 0968-0896eISSN: 1464-3405, 1464-3391DOI: 10.1016/j.bmcl.2008.05.061Titel-ID: cdi_proquest_miscellaneous_19332298
- Format
- –
- Schlagworte
- beta-Alanine - chemistry, Binding Sites, Biological and medical sciences, Chemistry, Pharmaceutical - methods, Crystallography, X-Ray - methods, Diabetes, Dipeptidyl Peptidase 4 - chemistry, Dipeptidyl-Peptidase IV Inhibitors, DPP-4 inhibitors, Drug Design, Fluorine - chemistry, Fluorine H-bond, General and cellular metabolism. Vitamins, Glycine - chemistry, Humans, Hydrogen Bonding, Inhibitory Concentration 50, Medical sciences, Models, Chemical, Models, Theoretical, Molecular Conformation, Pharmacology. Drug treatments, Software