Evidence map›Paper›PMID 40251368›Full record

ArticleScientific reports2025

In Silico and in vitro evaluation of the anticancer effect of a 1,5-Benzodiazepin-2-One derivative (3b) revealing potent dual inhibition of HER2 and HDAC1.

Nada S Al-Theyab, Ahmad H Bakheit, Sanae Lahmidi, Mohammed Mufadhe Alanazi, Awadh M Ali, Khalil Azzaoui, El Mokhtar Essassi, Joel T Mague, Mohamad Hefnawy, Mohammed Mater Alanazi and 1 more

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

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 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. Review
  2. Review
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

11 authors.

Nada S Al-TheyabDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, 11451, Saudi Arabia.
Ahmad H BakheitDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, 11451, Saudi Arabia.
Sanae LahmidiLaboratory of Heterocyclic Organic Chemistry, Department of Chemistry, Faculty of Sciences, Mohammed V University in Rabat, Rabat, 10106, Morocco.
Mohammed Mufadhe AlanaziDepartment of Pharmacology and Toxicology, College of Pharmacy, King Saud University, Riyadh, 11451, Saudi Arabia.
Awadh M AliDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, 11451, Saudi Arabia.
Khalil AzzaouiEngineering Laboratory of Organometallic, Molecular Materials, and Environment, Faculty of Sciences, University Sidi Mohamed Ben Abdellah, Fes, 30000, Morocco.
El Mokhtar EssassiLaboratory of Heterocyclic Organic Chemistry, Department of Chemistry, Faculty of Sciences, Mohammed V University in Rabat, Rabat, 10106, Morocco.
Joel T MagueDepartment of Chemistry, Tulane University, New Orleans, LA, 70118, USA.
Mohamad HefnawyDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, 11451, Saudi Arabia.
Mohammed Mater AlanaziDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, 11451, Saudi Arabia.
Ashwag S AlanaziDepartment of Pharmaceutical Sciences, College of Pharmacy, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh, 11671, Saudi Arabia. asalanzi@pnu.edu.sa.

Funding

Deanship of Scientific Research, King Saud University RSPD2025R754Princess Nourah Bint Abdulrahman University PNURSP2025R342
6 · The paper itself

Abstract

Benzodiazepines are widely recognized for their therapeutic benefits in the treatment of anxiety and insomnia. However, in the pursuit of innovative anticancer agents, they have gained attention as a possible pharmacophore. One of those promising anticancer benzodiazepines is 3b which was demonstrated to exert good antiproliferative effects. To investigate the anticancer effect of 3b, in silico prediction of the possible targets were performed. Then, the predicted targets were investigated through in vitro study. Furthermore, 3b was evaluated for its effects on cell cycle suppression and induction of apoptosis. Molecular docking was used to study the possible types of interactions while molecular dynamics simulations were conducted to estimate the protein-ligand complex's stability and dynamic behavior. Results demonstrated that 3b is a potent dual inhibitor of HER2 and HDAC1 with IC

Indexed as

Antineoplastic AgentsBenzodiazepinesBenzodiazepinonesErb-b2 Receptor Tyrosine KinasesHistone Deacetylase 1Histone Deacetylase InhibitorsApoptosisCell ProliferationHep G2 CellsHumansMolecular Docking SimulationMolecular Dynamics SimulationAntineoplastic AgentsBenzodiazepinesBenzodiazepinonesERBB2 protein, humanErb-b2 Receptor Tyrosine KinasesHDAC1 protein, humanHistone Deacetylase 1Histone Deacetylase InhibitorsBenzodiazepineCell cycle analysisHDAC inhibitor, HER2 inhibitorMolecular dynamics simulationsProgramed cell death

Identifiers

PMID40251368
PMCPMC12008195

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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.