Structure-Based Screening Identifies Polyphenol Glucuronides as Cyclophilin D Ligands.

Annan Wu, Jie Zhang, Jing Zhao

Abstract read

In one paragraph

Article in Molecules (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it

0cells of the map it votes in

0citing 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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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.

Annan WuCollege of Food Science and Nutritional Engineering, China Agricultural University, Beijing 100083, China.

Jie ZhangCollege of Food Science and Nutritional Engineering, China Agricultural University, Beijing 100083, China.

Jing ZhaoCollege of Food Science and Nutritional Engineering, China Agricultural University, Beijing 100083, China.ORCID 0000-0001-5681-6058

Funding

National Natural Science Foundation of China 32272237

6 · The paper itself

Abstract

(1) Background: The mitochondrial permeability transition pore (mPTP) contributes to mitochondrial dysfunction under pathological conditions. Cyclophilin D (CypD), a key regulator of sustained mPTP opening, represents an important molecular target. However, systematic strategies for selecting an appropriate CypD crystal structure for virtual screening and efficiently identifying CypD-binding natural polyphenols remain limited. (2) Methods: Six CypD crystal structures were evaluated by receiver operating characteristic analysis using reported CypD inhibitors and approximately 4000 decoys. The optimal receptor structure was subsequently used to screen 484 dietary polyphenols by molecular docking. Selected top-ranked candidates were further characterized by

Indexed as

CyclophilinsGlucuronidesPeptidyl-Prolyl Isomerase FPolyphenolsBinding SitesHumansLigandsMagnetic Resonance SpectroscopyMitochondrial Membrane Transport ProteinsMitochondrial Permeability Transition PoreMolecular Docking SimulationProtein BindingSurface Plasmon ResonanceCyclophilinsGlucuronidesLigandsMitochondrial Membrane Transport ProteinsMitochondrial Permeability Transition PorePeptidyl-Prolyl Isomerase FPolyphenolsCyclophilin Dmitochondrial permeability transition poremolecular dockingNMRpolyphenolssurface plasmon resonancevirtual screening

Identifiers

PMID42738733

DOI10.3390/molecules31173074

PMCPMC13567431

What OpenQuestion holds

Textmetadata

Read underepoch 390

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.