Evidence map›Paper›PMID 41053182›Full record

ArticleScientific reports2025

Structural, nonlinear optical, and molecular docking studies of schiff base compounds as multi-target inhibitors of AChE, BChE, and carbonic anhydrases.

Oumria Kourat, Nadia Benhalima, Al-Anood M Al-Dies, Abdelkrim Guendouzi, Zohra Douaa Benyahlou, Youcef Megrouss, Mokhtaria Drissi, Gizachew Alene Alem, Emad Rashad Sindi, Magdi E A Zaki

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Article in Scientific reports, 2025. 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. 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

10 authors.

Oumria KouratDepartment of Material Sciences, Faculty of Sciences and Technology, University of Saida, Saida, Algeria.
Nadia BenhalimaLaboratory of Chemistry: Synthesis Properties and Applications (LCSPA), University of Saida, Saida, Algeria.
Al-Anood M Al-DiesDepartment of Chemistry, Umm Al-Qura University, Al-Qunfudah University College, Al-Qunfudah, Saudi Arabia.
Abdelkrim GuendouziLaboratory of Chemistry: Synthesis Properties and Applications (LCSPA), University of Saida, Saida, Algeria.
Zohra Douaa BenyahlouLaboratory of Technology and Solid Properties (LTPS), University of Mostaganem, Mostaganem, Algeria.
Youcef MegroussLaboratory of Technology and Solid Properties (LTPS), University of Mostaganem, Mostaganem, Algeria.
Mokhtaria DrissiLaboratory of Synthesis and Catalysis, University of Tiaret, Tiaret, Algeria.
Gizachew Alene AlemCollege of Natural and Computational Sciences, Department of Chemistry, Debre Markos University, P.O.Box: 269, Debre Markos, Ethiopia. gizachewalene06@gmail.com.
Emad Rashad SindiDivision of Clinical Biochemistry, Department of Basic Medical Sciences, College of Medicine, University of Jeddah, Jeddah, 23890, Saudi Arabia.
Magdi E A ZakiDepartment of Chemistry, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, 11623, Saudi Arabia. mezaki@imamu.edu.sa.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

This study investigates the structural, electronic, and inhibitory properties of two novel Schiff base compounds, (E)-5-(((4-bromophenyl)imino)methyl)-2-methoxyphenol (BPhIM) and (E/Z)-5-(((4-aminophenyl)imino)methyl)-2-methoxyphenol (APhIM), as potential multi-target inhibitors of key metabolic enzymes linked to neurodegenerative disorders. The compounds were characterized using density functional theory (DFT) calculations at the B97D3/6-311 + + G(d, p) level. DFT analysis revealed a low energy gap (2.39-2.65 eV), indicating high chemical reactivity, and significant first hyperpolarizability values (9.98-31.25 × 10

Indexed as

AcetylcholinesteraseButyrylcholinesteraseCarbonic Anhydrase InhibitorsCarbonic AnhydrasesCholinesterase InhibitorsDensity Functional TheoryHumansMolecular Docking SimulationSchiff BasesStructure-Activity RelationshipAcetylcholinesteraseButyrylcholinesteraseCarbonic Anhydrase InhibitorsCarbonic AnhydrasesCholinesterase InhibitorsSchiff BasesDensity functional theory (DFT)Enzyme inhibitionMolecular dockingNonlinear optical (NLO) propertiesSchiff base

Identifiers

PMID41053182
PMCPMC12501272

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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.