Evidence mapPaperPMID 39459249Full record

ArticleMolecules (Basel, Switzerland)2024

Identification of Novel PPARγ Partial Agonists Based on Virtual Screening Strategy: In Silico and In Vitro Experimental Validation.

Yu-E Lian, Mei Wang, Lei Ma, Wei Yi, Siyan Liao, Hui Gao, Zhi Zhou

Abstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing 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

6 citing papers in PubMed.

  1. Review
  2. Review
  3. Review
  4. Article
  5. ADMET & DMPK · 2026
    Review
  6. Article
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

7 authors.

Yu-E LianSchool of Pharmaceutical Sciences, Guangzhou Medical University, Guangzhou 511436, China.
Mei WangSchool of Pharmaceutical Sciences, Guangzhou Medical University, Guangzhou 511436, China.
Lei MaSchool of Pharmaceutical Sciences, Guangzhou Medical University, Guangzhou 511436, China.
Wei YiSchool of Pharmaceutical Sciences, Guangzhou Medical University, Guangzhou 511436, China.ORCID 0000-0001-7936-9326
Siyan LiaoSchool of Pharmaceutical Sciences, Guangzhou Medical University, Guangzhou 511436, China.
Hui GaoSchool of Pharmaceutical Sciences, Guangzhou Medical University, Guangzhou 511436, China.ORCID 0000-0002-8736-4485
Zhi ZhouSchool of Pharmaceutical Sciences, Guangzhou Medical University, Guangzhou 511436, China.ORCID 0000-0002-6521-8946

Funding

Guangdong Basic and Applied Basic Research Foundation 2024A1515030179, 2024A1515010260National Natural Science Foundation of China 82273795, 22201051
6 · The paper itself

Abstract

Thiazolidinediones (TZDs) including rosiglitazone and pioglitazone function as peroxisome proliferator-activated receptor gamma (PPARγ) full agonists, which have been known as a class to be among the most effective drugs for the treatment of type 2 diabetes mellitus (T2DM). However, side effects of TZDs such as fluid retention and weight gain are associated with their full agonistic activities toward PPARγ induced by the AF-2 helix-involved "locked" mechanism. Thereby, this study aimed to obtain novel PPARγ partial agonists without direct interaction with the AF-2 helix. Through performing virtual screening of the Targetmol L6000 Natural Product Library and utilizing molecular dynamics (MD) simulation, as well as molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) analysis, four compounds including tubuloside b, podophyllotoxone, endomorphin 1 and paliperidone were identified as potential PPARγ partial agonists. An in vitro TR-FRET competitive binding assay showed podophyllotoxone displayed the optimal binding affinity toward PPARγ among the screened compounds, exhibiting IC

Indexed as

Molecular Dynamics SimulationPPAR gammaComputer SimulationDiabetes Mellitus, Type 2Drug Evaluation, PreclinicalHumansHypoglycemic AgentsMolecular Docking SimulationProtein BindingRosiglitazoneThiazolidinedionesHypoglycemic AgentsPPAR gammaRosiglitazoneThiazolidinedionesnatural product librarypodophyllotoxonePPARγ partial agonistsTR-FRET competitive binding assayvirtual screening

Identifiers

PMID39459249
PMCPMC11509912

What Socratic holds

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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 Socratic graph.