Premium
Cover Picture: 2‐Phenoxy‐nicotinamides are Potent Agonists at the Bile Acid Receptor GPBAR1 (TGR5) (ChemMedChem 4/2013)
Author(s) -
Martin Rainer E.,
Bissantz Caterina,
Gavelle Olivier,
Kuratli Christoph,
Dehmlow Henrietta,
Richter Hans G. F.,
Obst Sander Ulrike,
Erickson Shawn D.,
Kim Kyungjin,
PietranicoCole Sherrie Lynn,
AlvarezSánchez Rubén,
Ullmer Christoph
Publication year - 2013
Publication title -
chemmedchem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.201390010
Subject(s) - g protein coupled bile acid receptor , cover (algebra) , bile acid , agonist , chemistry , receptor , stereochemistry , biochemistry , mechanical engineering , engineering
The front cover picture shows a 3D homology model of the human G protein‐coupled bile acid receptor (GPBAR1; carbon atoms in green). The full receptor structure is shown (top right) with the proposed binding site of GPBAR1 agonists indicated (red ellipse). The main picture shows a zoom of this binding site into which taurolithocholic acid (TLCA; carbon atoms in cyan) and a 2‐phenoxy‐nicotinamide agonist (carbon atoms in magenta) are docked. The alignment of TLCA with our advanced lead compounds enabled the identification of the optimal attachment point for a polar vector, which was critical to improve the physicochemical properties of the series. For more details, see the Communication by Rainer E. Martin et al. on p. 569 ff.