Evidence map›Paper›PMID 41011608›Full record

ArticleMolecules (Basel, Switzerland)2025

Study of 1,3-Dipolar Cycloaddition Between 4-Acyl-1H-pyrrole-2,3-diones Fused at the [e]-Side with a Heterocyclic Moiety and Diphenylnitrone: A Comprehensive MEDT, Docking Approach and MD Simulation.

Soukaina Ameur, Agnieszka Kącka-Zych, Ziad Moussa, Reem I Alsantali, Abdellah Zeroual, Mustafa S Alluhaibi, Abdulrahman A Alsimaree, Saleh A Ahmed

Abstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Article
  2. 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

8 authors.

Soukaina AmeurMolecular Modelling and Spectroscopy Research Team, Faculty of Science, Chouaïb Doukkali University, P.O. Box 20, El Jadida 24000, Morocco.ORCID 0009-0004-4087-8069
Agnieszka Kącka-ZychCracow University of Technology, Faculty of Chemical Engineering and Technology, Department of Organic Chemistry and Technology, Warszawska 24, 31-155 Cracow, Poland.ORCID 0000-0003-0636-7914
Ziad MoussaDepartment of Chemistry, College of Science, United Arab Emirates University, Al Ain P.O. Box 15551, United Arab Emirates.ORCID 0000-0002-3365-0451
Reem I AlsantaliDepartment of Pharmaceutical Chemistry, College of Pharmacy, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia.
Abdellah ZeroualMolecular Modelling and Spectroscopy Research Team, Faculty of Science, Chouaïb Doukkali University, P.O. Box 20, El Jadida 24000, Morocco.ORCID 0000-0002-6962-2866
Mustafa S AlluhaibiDepartment of Chemistry, Faculty of Science, Umm Al-Qura University, Makkah 21955, Saudi Arabia.ORCID 0009-0007-3756-2874
Abdulrahman A AlsimareeDepartment of Chemistry, College of Science and Humanities, Shaqra University, Shaqra 11911, Saudi Arabia.
Saleh A AhmedDepartment of Chemistry, Faculty of Science, Umm Al-Qura University, Makkah 21955, Saudi Arabia.

Funding

PLGrid PLG/2024/017842to Umm Al-Qura University, Saudi Arabia 25UQU4320545GSSR04
6 · The paper itself

Abstract

In this article, the 1,3-dipolar cycloaddition (1,3-DC) reactions between 4-acyl-1H-pyrrole-2,3-diones fused at the [e]-side with a heterocyclic moiety (FPDs) and diphenylnitrone are studied using Molecular Electron Density Theory (MEDT) at different computational levels. An analysis of the global reactivity descriptors has determined the role of the reagents. FPDs will act as electrophiles, while diphenylnitrone will be a nucleophile. It was found that the reactions proceed according to a one-step but asynchronous mechanism. Additionally, based on the Bonding Evolution Theory (BET) analysis of the model 1,3-DC reaction between FPDs

Indexed as

1,3-dipolar cycloaddition1H-pyrrole-2,3-dionesdensity functional theoryMD simulationmolecular dockingnitrones

Identifiers

PMID41011608
PMCPMC12472521

What OpenQuestion holds

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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 OpenQuestion graph.