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Issue 8, 2018
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Scaffold hopping from synthetic RXR modulators by virtual screening and de novo design

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Abstract

The lack of potent subtype-selective modulators of retinoid X receptors (RXRs) has hindered their full exploitation as promising drug targets. Using computational similarity searching, target prediction and automated de novo design, we identified novel RXR ligands exhibiting innovative molecular frameworks, pronounced receptor-subtype preference and suitable properties for hit-to-lead expansion.

Graphical abstract: Scaffold hopping from synthetic RXR modulators by virtual screening and de novo design

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Supplementary files

Article information


Submitted
10 Mar 2018
Accepted
15 Apr 2018
First published
06 Jun 2018

Med. Chem. Commun., 2018,9, 1289-1292
Article type
Research Article

Scaffold hopping from synthetic RXR modulators by virtual screening and de novo design

D. Merk, F. Grisoni, L. Friedrich, E. Gelzinyte and G. Schneider, Med. Chem. Commun., 2018, 9, 1289
DOI: 10.1039/C8MD00134K

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