Evidence map›Paper›PMID 37010709›Full record

ArticleMolecular diversity2024

Anticancer activity, DFT study, ADMET prediction, and molecular docking of novel α-sulfamidophosphonates.

Meriem Guerfi, Malika Berredjem, Ali Dekir, Rania Bahadi, Seif-Eddine Djouad, Tan Ouk Sothea, Rayenne Redjemia, Billel Belhani, Meriem Boussaker

Abstract read
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In one paragraph

Article in Molecular diversity, 2024. 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

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

3 citing papers in PubMed.

  1. Article
  2. Article
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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

9 authors.

Meriem GuerfiChemistry Department, Laboratory of Applied Organic Chemistry, Synthesis of Biomolecules and Molecular Modelling Group, Sciences Faculty, Badji-Mokhtar Annaba University, Box 12, 23000, Annaba, Algeria.
Malika BerredjemChemistry Department, Laboratory of Applied Organic Chemistry, Synthesis of Biomolecules and Molecular Modelling Group, Sciences Faculty, Badji-Mokhtar Annaba University, Box 12, 23000, Annaba, Algeria. mberredjem@yahoo.fr.
Ali DekirChemistry Department, Laboratory of Applied Organic Chemistry, Synthesis of Biomolecules and Molecular Modelling Group, Sciences Faculty, Badji-Mokhtar Annaba University, Box 12, 23000, Annaba, Algeria.
Rania BahadiChemistry Department, Laboratory of Applied Organic Chemistry, Synthesis of Biomolecules and Molecular Modelling Group, Sciences Faculty, Badji-Mokhtar Annaba University, Box 12, 23000, Annaba, Algeria.
Seif-Eddine DjouadChemistry Department, Laboratory of Applied Organic Chemistry, Synthesis of Biomolecules and Molecular Modelling Group, Sciences Faculty, Badji-Mokhtar Annaba University, Box 12, 23000, Annaba, Algeria.
Tan Ouk SotheaLaboratoire Peirene, EA7500 Université de Limoges, 123 Avenue Albert Thomas, 87000, Limoges Cedex, France.
Rayenne RedjemiaChemistry Department, Laboratory of Applied Organic Chemistry, Synthesis of Biomolecules and Molecular Modelling Group, Sciences Faculty, Badji-Mokhtar Annaba University, Box 12, 23000, Annaba, Algeria.
Billel BelhaniChemistry Department, Laboratory of Applied Organic Chemistry, Synthesis of Biomolecules and Molecular Modelling Group, Sciences Faculty, Badji-Mokhtar Annaba University, Box 12, 23000, Annaba, Algeria.
Meriem BoussakerChemistry Department, Laboratory of Applied Organic Chemistry, Synthesis of Biomolecules and Molecular Modelling Group, Sciences Faculty, Badji-Mokhtar Annaba University, Box 12, 23000, Annaba, Algeria.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

A series of novel α-sulfamidophosphonate derivatives (3a-3 g) were synthesized and evaluated for anticancer activity against different human cancer cell lines (PRI, K562, and JURKAT). The antitumor activity of all compounds using the MTT test remains moderate compared to the standard drug chlorambucil. Compounds 3c and 3 g were found to be more active anticancer agent against PRI and K562 cells with IC50 value 0.056-0.097 and 0.182-0.133 mM, respectively. Molecular docking study related to binding affinity and binding mode analysis showed that synthesized compounds had potential to inhibit glutamate carboxypeptidase II (GCPII). Furthermore, computational analysis was performed through Density Functional Theory (DFT) utilizing the B3LYP 6-31 G (d, p) basis set and the theoretical results were correlated with experimental data. The ADME/toxicity analyses carried out by Swiss ADME and OSIRIS software show that all synthesized molecules exhibited good pharmacokinetics, bioavailability, and had no toxicity profile.

Indexed as

Antineoplastic AgentsDensity Functional TheoryMolecular Docking SimulationOrganophosphonatesCell Line, TumorGlutamate Carboxypeptidase IIHumansStructure-Activity RelationshipAntineoplastic AgentsGlutamate Carboxypeptidase IIOrganophosphonatesADME analysisAnticancer activityDFT studyGlutamate carboxypeptidase II inhibitionMolecular dockingα-sulfamidophosphonates

Identifiers

PMID37010709

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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.