Rational design and virtual screening identify mimetics of the RXR agonist valerenic acid.
natural product mimetic
retinoid X receptor
transcription factor
Journal
ChemMedChem
ISSN: 1860-7187
Titre abrégé: ChemMedChem
Pays: Germany
ID NLM: 101259013
Informations de publication
Date de publication:
18 Jan 2024
18 Jan 2024
Historique:
revised:
23
12
2023
received:
22
07
2023
accepted:
17
01
2024
medline:
18
1
2024
pubmed:
18
1
2024
entrez:
18
1
2024
Statut:
aheadofprint
Résumé
The ligand-sensing transcription factor retinoid X receptor (RXR) is the universal heterodimer partner of nuclear receptors and involved in multiple physiological processes. Its pharmacological modulation holds therapeutic potential in cancer and neurodegeneration but many available RXR ligands lack specificity. The sesquiterpenoid valerenic acid has been identified as RXR agonist with unprecedented subtype and homodimer preference. Here, we identified simplified mimetics of the complex natural product by rational design and virtual screening that exhibited similar activity profiles on RXR and informed about structural elements contributing to the favorable activity.
Identifiants
pubmed: 38235922
doi: 10.1002/cmdc.202300379
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
e202300379Informations de copyright
© 2024 Wiley-VCH GmbH.