Scaffold hopping from synthetic RXR modulators by virtual screening and de novo design.
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ABSTRACT:
SUBMITTER: Merk D
PROVIDER: S-EPMC6096356 | biostudies-literature | 2018 Aug
REPOSITORIES: biostudies-literature
Publications
Scaffold hopping from synthetic RXR modulators by virtual screening and <i>de novo</i> design.
Merk Daniel D Grisoni Francesca F Friedrich Lukas L Gelzinyte Elena E Schneider Gisbert G
MedChemComm 20180606 8
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 <i>de novo</i> design, we identified novel RXR ligands exhibiting innovative molecular frameworks, pronounced receptor-subtype preference and suitable properties for hit-to-lead expansion. ...[more]
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