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DrugBank screening revealed alitretinoin and bexarotene as liver X receptor modulators

: Heitel, P.; Achenbach, J.; Moser, D.; Proschak, E.; Merk, D.


Bioorganic & medicinal chemistry letters 27 (2017), No.5, pp.1193-1198
ISSN: 0960-894X
ISSN: 1464-3405
Journal Article
Fraunhofer IME ()

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.