Structure-activity relationships of human AKR-type oxidoreductases involved in bile acid synthesis: AKR1D1 and AKR1C4.
|Abstract||Two members of the human aldo-keto reductase (AKR) superfamily participate in the biosynthesis of bile acids by catalyzing the NADP(H) dependent reduction of 3-keto groups (AKR1C4) and Delta4 double bonds (AKR1D1) of oxysterol precursors. Structure determination of human AKR1C4 and homology modelling of AKR1D1 followed by docking experiments were used to explore active site geometries. Substrate docking resulted in ligand poses satisfying catalyt ... [truncated at 450 characters in length]|
|Author||Lee, Wen Hwa; Lukacik, Petra; Guo, Kunde; et al|
|Subject||Bile Acids and Salts Catalytic Domain Crystallography, X-Ray Humans Ligands Models, Molecular Oxidoreductases Structural Homology, Protein Structure-Activity Relationship Tryptophan biosynthesis chemistry metabolism metabolism|