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ID: ALA1136407

Journal: Bioorg Med Chem Lett

Title: Binding mode of 6ECDCA, a potent bile acid agonist of the farnesoid X receptor (FXR).

Authors: Costantino G, Macchiarulo A, Entrena-Guadix A, Camaioni E, Pellicciari R.

Abstract: 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.

CiteXplore: 12749886

DOI: 10.1016/s0960-894x(03)00281-6