Paper Citing NAMD - Abstract
Costantino, G.; Macchiarulo, A.; Entrena-Guadix, A.; Camaioni, E.; Pellicciari, R.
Binding mode of 6ECDCA, a potent bile acid agonist of the Farnesoid X Receptor (FXR)
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 13:1865-1868, JUN 2 2003
Based on the folding conservation across the nuclear receptor superfamily and the sequence homology with RAR-gamma, we report the construction of a three dimensional model of the ligand binding domain of FXR. The model is exploited for the elucidation of the binding mode of 6alpha-ethyl-chenodeoxycholic acid. The results of the docking experiments give quite clear indications that the bile acid derivative would bind the receptor in a mode significantly different than that observed for agonists of other nuclear receptor superfamily. (C) 2003 Elsevier Science Ltd. All rights reserved.
