DrugBank screening revealed alitretinoin and bexarotene as liver X receptor modulators.

Pascal Heitel, Janosch Achenbach, Daniel Moser, Ewgenij Proschak, Daniel Merk

Bioorganic & medicinal chemistry letters 2017 Mar 01

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In silico screening of DrugBank database to detect liver X receptor (LXR) agonism of marketed drugs using a self-organizing map and successive LXR-Gal4 hybrid reporter gene assay evaluation in vitro discovered alitretinoin and bexarotene as partial liver X receptor agonists. Dose-response curves demonstrated that plasma concentrations observed in clinical trials are sufficient for LXR activation and thus could account for LXR-mediated side-effects such as hypercholesterolemia and hyperlipidemia. The discovered drugs are the first reported dual LXR/RXR agonists and can serve as lead structures for LXR and dual LXR/RXR modulator development. Copyright © 2017 Elsevier Ltd. All rights reserved.

Citation

Pascal Heitel, Janosch Achenbach, Daniel Moser, Ewgenij Proschak, Daniel Merk. DrugBank screening revealed alitretinoin and bexarotene as liver X receptor modulators. Bioorganic & medicinal chemistry letters. 2017 Mar 01;27(5):1193-1198