Evidence mapPaperPMID 39891837Full record

ArticleMolecular diversity2025

PPARγ modulator predictor (PGMP_v1): chemical space exploration and computational insights for enhanced type 2 diabetes mellitus management.

Sk Abdul Amin, Lucia Sessa, Shovanlal Gayen, Stefano Piotto

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Article in Molecular diversity, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

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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

3 citing papers in PubMed.

  1. Review
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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

4 authors.

Sk Abdul AminDepartment of Pharmacy, University of Salerno, Via Giovanni Paolo II 132, 84084, Fisciano, SA, Italy. pharmacist.amin@gmail.com.ORCID http://orcid.org/0000-0003-4799-7322
Lucia SessaDepartment of Pharmacy, University of Salerno, Via Giovanni Paolo II 132, 84084, Fisciano, SA, Italy.ORCID http://orcid.org/0000-0002-5343-2777
Shovanlal GayenDepartment of Pharmaceutical Technology, Jadavpur University, Kolkata, West Bengal, 700032, India.ORCID http://orcid.org/0000-0002-3367-578X
Stefano PiottoDepartment of Pharmacy, University of Salerno, Via Giovanni Paolo II 132, 84084, Fisciano, SA, Italy.ORCID http://orcid.org/0000-0002-3102-1918

Funding

EUREKA MIND Project No. E! 459.
6 · The paper itself

Abstract

Peroxisome proliferator-activated receptor gamma (PPARγ) plays a critical role in adipocyte differentiation and enhances insulin sensitivity. In contemporary drug discovery, in silico design strategies offer significant advantages by revealing essential structural insights for lead optimization. The study is guided by two main objectives: (i) a ligand-based approach to explore the chemical space of PPARγ modulators followed by molecular docking ensembles (MDEs) to investigate ligand-binding interactions, (ii) the development of a supervised ML model for a large dataset of compounds targeting PPARγ. Additionally, the combination of chemical space networks with ML models enables the rapid screening and prediction of PPARγ modulators. These modeling analyses will assist medicinal chemists in designing more potent PPARγ modulators. To further enhance accessibility for the scientific community, we developed an online tool, "PGMP_v1," aimed at prospective screening for PPARγ modulators. The tool "PGMP_v1" is available at the provided link https://github.com/Amincheminfom/PGMP_v1 . The integration of these computational methods has uncovered crucial structural motifs that are essential for PPARγ activity, advancing the development of more effective modulators in the future.

Indexed as

Diabetes Mellitus, Type 2Hypoglycemic AgentsPPAR gammaDrug DesignDrug DiscoveryHumansLigandsMolecular Docking SimulationHypoglycemic AgentsLigandsPPAR gammaChemical spaceDiabetes mellitusMachine learningMolecular docking ensemblesPPARScaffold analysis

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Registered trials

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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.