Evidence map›Paper›PMID 42378554›Full record

ArticleJournal of chemical information and modeling2026

Structural and Thermodynamic Discrimination between Agonists and Antagonists of Retinoic Acid Receptor γ and the Vitamin D Receptor.

Teresa Żołek, Szymon Sutuła, Andrzej Kutner

Abstract read
In one paragraph

Article in Journal of chemical information and modeling, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

3 authors.

Teresa ŻołekDepartment of Organic and Physical Chemistry, Faculty of Pharmacy, Medical University of Warsaw, 1 Banacha, Warsaw 02-097, Poland.ORCID 0000-0002-6781-0329
Szymon SutułaCryomicroscopy and Electron Diffraction Core Facility, Centre of New Technologies, University of Warsaw, 2c Banacha, Warsaw 02-097, Poland.ORCID 0000-0003-1967-3910
Andrzej KutnerDepartment of Drug Chemistry, Pharmaceutical and Biomedical Analysis, Faculty of Pharmacy, Medical University of Warsaw, 1 Banacha, Warsaw 02-097, Poland.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Synthetic ligands of retinoic acid receptor γ (RARγ) and vitamin D receptor (VDR) can act as agonists or antagonists by reshaping receptor conformation and cofactor recruitment, yet the structural and energetic determinants of this selectivity remain incompletely defined. Here, we present an integrated structural and thermodynamic analysis combining conformational characterization, molecular dynamics simulations, and molecular mechanics Poisson-Boltzmann surface area calculations to compare representative agonists and antagonists of human RARγ and VDR. Binding free energies and effective enthalpic contributions were evaluated for selected ligands, whereas the apparent entropic term, estimated indirectly as -

Indexed as

Receptors, CalcitriolReceptors, Retinoic AcidHumansLigandsMolecular Dynamics SimulationProtein BindingRetinoic Acid Receptor gammaThermodynamicsLigandsReceptors, CalcitriolReceptors, Retinoic AcidRetinoic Acid Receptor gamma

Identifiers

PMID42378554
PMCPMC13370873

What OpenQuestion holds

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LicenceCC BY
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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.