Evidence map›Paper›PMID 40408389›Full record

ArticlePloS one2025

Investigation of the inhibitory potential of secondary metabolites isolated from Fernandoa adenophylla against Beta-glucuronidase via molecular docking and molecular dynamics simulation studies.

Abdur Rauf, Rahaf Ajaj, Zuneera Akram, Majid Khan, Abdul Wadood, Maryam Zulfat, Zafar Ali Shah, Abdulhakeem S Alamri, Walaa F Alsanie, Majid Alhomrani and 2 more

Abstract read
In one paragraph

Article in PloS one, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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0citing papers in PubMed
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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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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

12 authors.

Abdur RaufDepartment of Chemistry, University of Swabi, Swabi, Anbar, Khyber Pakhtunkhwa (K.P.), Pakistan.ORCID https://orcid.org/0000-0003-2429-5491
Rahaf AjajDepartment of Environmental and Public Health, College of Health Sciences, Abu Dhabi University, Abu Dhabi, United Arab Emirates.
Zuneera AkramDepartment of Pharmacology, Faculty of Pharmaceutical Sciences, University of Karachi, Karachi, Pakistan.
Majid KhanDepartment of Biochemistry, Abbottabad University of Science & Technology, Abbottabad, Pakistan.
Abdul WadoodDepartment of Biochemistry, Abdul Wali Khan University Mardan, Mardan, KPK, Pakistan.
Maryam ZulfatDepartment of Biochemistry, Abdul Wali Khan University Mardan, Mardan, KPK, Pakistan.
Zafar Ali ShahDepartment of Agricultural Chemistry and Biochemistry, The University of Agriculture, Peshawar, Pakistan.
Abdulhakeem S AlamriDepartment of Clinical Laboratory Sciences, The Faculty of Applied Medical Sciences, Taif University, Taif, Saudi Arabia.ORCID https://orcid.org/0000-0003-3174-0434
Walaa F AlsanieDepartment of Clinical Laboratory Sciences, The Faculty of Applied Medical Sciences, Taif University, Taif, Saudi Arabia.
Majid AlhomraniDepartment of Clinical Laboratory Sciences, The Faculty of Applied Medical Sciences, Taif University, Taif, Saudi Arabia.
Humaira HussainDepartment of Biochemistry, Abbottabad University of Science & Technology, Abbottabad, Pakistan.
Dorota FormanowiczChair and Department of Medical Chemistry and Laboratory Medicine, Poznan University of Medical Sciences, Poznan, Poland.ORCID https://orcid.org/0000-0001-6691-3863

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Elevated β-glucuronidase activity is associated with the production of toxic metabolites that contribute to tumor development and other diseases. Inhibiting this enzyme may offer therapeutic potential, including the prevention of colonic carcinogenesis. This study investigates the antidiabetic potential of metabolites derived from Fernandoa adenophylla, using β-glucuronidase as a model enzyme linked to hyperglycemia. Both Escherichia coli and human isoforms of β-glucuronidase were evaluated. Among the tested compounds, AA and DD exhibited the most significant inhibitory activity against the E. coli isoenzyme, with inhibition rates of 85.2% (IC₅₀ = 12.3 µM) and 82.6% (IC₅₀ = 8.2 µM), respectively. Against the human isoenzyme, compounds DD and CC showed the highest inhibition, with 92.6% (IC₅₀ = 28.2 µM) and 90.4% (IC₅₀ = 8.9 µM), respectively. These findings were further supported by molecular docking and molecular dynamics simulations. So, these results highlight the potential of F. adenophylla metabolites as promising candidates for developing novel therapeutic agents targeting β-glucuronidase.

Indexed as

Enzyme InhibitorsGlucuronidaseMolecular Docking SimulationMolecular Dynamics SimulationPlant ExtractsEscherichia coliHumansEnzyme InhibitorsGlucuronidasePlant Extracts

Identifiers

PMID40408389
PMCPMC12101693

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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.