Molecular basis of ligand-dependent Nurr1-RXRα activation

Small molecule compounds that activate transcription of Nurr1-retinoid X receptor alpha (RXRα) (NR4A2-NR2B1) nuclear receptor heterodimers are implicated in the treatment of neurodegenerative disorders, but function through poorly understood mechanisms. Here, we show that RXRα ligands activate Nurr1...

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Main Authors: Xiaoyu Yu, Jinsai Shang, Douglas J Kojetin
Format: Article
Language:English
Published: eLife Sciences Publications Ltd 2023-04-01
Series:eLife
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Online Access:https://elifesciences.org/articles/85039
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author Xiaoyu Yu
Jinsai Shang
Douglas J Kojetin
author_facet Xiaoyu Yu
Jinsai Shang
Douglas J Kojetin
author_sort Xiaoyu Yu
collection DOAJ
description Small molecule compounds that activate transcription of Nurr1-retinoid X receptor alpha (RXRα) (NR4A2-NR2B1) nuclear receptor heterodimers are implicated in the treatment of neurodegenerative disorders, but function through poorly understood mechanisms. Here, we show that RXRα ligands activate Nurr1-RXRα through a mechanism that involves ligand-binding domain (LBD) heterodimer protein-protein interaction (PPI) inhibition, a paradigm distinct from classical pharmacological mechanisms of ligand-dependent nuclear receptor modulation. NMR spectroscopy, PPI, and cellular transcription assays show that Nurr1-RXRα transcriptional activation by RXRα ligands is not correlated with classical RXRα agonism but instead correlated with weakening Nurr1-RXRα LBD heterodimer affinity and heterodimer dissociation. Our data inform a model by which pharmacologically distinct RXRα ligands (RXRα homodimer agonists and Nurr1-RXRα heterodimer selective agonists that function as RXRα homodimer antagonists) operate as allosteric PPI inhibitors that release a transcriptionally active Nurr1 monomer from a repressive Nurr1-RXRα heterodimeric complex. These findings provide a molecular blueprint for ligand activation of Nurr1 transcription via small molecule targeting of Nurr1-RXRα.
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spelling doaj-art-63d92d0c1fcc4fdfb65d10b1324357732025-08-20T02:12:25ZengeLife Sciences Publications LtdeLife2050-084X2023-04-011210.7554/eLife.85039Molecular basis of ligand-dependent Nurr1-RXRα activationXiaoyu Yu0https://orcid.org/0000-0003-0549-9560Jinsai Shang1Douglas J Kojetin2https://orcid.org/0000-0001-8058-6168Skaggs Graduate School of Chemical and Biological Sciences at Scripps Research, Jupiter, United States; Department of Integrative Structural and Computational Biology, Scripps Research and UF Scripps Biomedical Research, Jupiter, United StatesDepartment of Integrative Structural and Computational Biology, Scripps Research and UF Scripps Biomedical Research, Jupiter, United StatesDepartment of Integrative Structural and Computational Biology, Scripps Research and UF Scripps Biomedical Research, Jupiter, United States; Department of Molecular Medicine, Scripps Research and UF Scripps Biomedical Research, Jupiter, United StatesSmall molecule compounds that activate transcription of Nurr1-retinoid X receptor alpha (RXRα) (NR4A2-NR2B1) nuclear receptor heterodimers are implicated in the treatment of neurodegenerative disorders, but function through poorly understood mechanisms. Here, we show that RXRα ligands activate Nurr1-RXRα through a mechanism that involves ligand-binding domain (LBD) heterodimer protein-protein interaction (PPI) inhibition, a paradigm distinct from classical pharmacological mechanisms of ligand-dependent nuclear receptor modulation. NMR spectroscopy, PPI, and cellular transcription assays show that Nurr1-RXRα transcriptional activation by RXRα ligands is not correlated with classical RXRα agonism but instead correlated with weakening Nurr1-RXRα LBD heterodimer affinity and heterodimer dissociation. Our data inform a model by which pharmacologically distinct RXRα ligands (RXRα homodimer agonists and Nurr1-RXRα heterodimer selective agonists that function as RXRα homodimer antagonists) operate as allosteric PPI inhibitors that release a transcriptionally active Nurr1 monomer from a repressive Nurr1-RXRα heterodimeric complex. These findings provide a molecular blueprint for ligand activation of Nurr1 transcription via small molecule targeting of Nurr1-RXRα.https://elifesciences.org/articles/85039nuclear receptorsNMR spectroscopyligand bindingtranscription factorsbiophysicsprotein-protein interaction
spellingShingle Xiaoyu Yu
Jinsai Shang
Douglas J Kojetin
Molecular basis of ligand-dependent Nurr1-RXRα activation
eLife
nuclear receptors
NMR spectroscopy
ligand binding
transcription factors
biophysics
protein-protein interaction
title Molecular basis of ligand-dependent Nurr1-RXRα activation
title_full Molecular basis of ligand-dependent Nurr1-RXRα activation
title_fullStr Molecular basis of ligand-dependent Nurr1-RXRα activation
title_full_unstemmed Molecular basis of ligand-dependent Nurr1-RXRα activation
title_short Molecular basis of ligand-dependent Nurr1-RXRα activation
title_sort molecular basis of ligand dependent nurr1 rxrα activation
topic nuclear receptors
NMR spectroscopy
ligand binding
transcription factors
biophysics
protein-protein interaction
url https://elifesciences.org/articles/85039
work_keys_str_mv AT xiaoyuyu molecularbasisofliganddependentnurr1rxraactivation
AT jinsaishang molecularbasisofliganddependentnurr1rxraactivation
AT douglasjkojetin molecularbasisofliganddependentnurr1rxraactivation