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

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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).

Bioorg Med Chem Lett. 2003 Jun 2;13(11):1865-8.

PubMed ID

12749886 [ View in PubMed

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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.

DrugBank Data that Cites this Article

Binding Properties

Drug	Target	Property	Measurement	pH	Temperature (°C)
Chenodeoxycholic acid	Bile acid receptor	EC 50 (nM)	8660	N/A	N/A	Details