Evidence map›Paper›PMID 41596693›Full record

ArticleInternational journal of molecular sciences2026

In Silico Development of Novel Quinazoline-Based EGFR Inhibitors via 3D-QSAR, Docking, ADMET, and Molecular Dynamics.

Mohamed Moussaoui, Soukayna Baammi, Mouna Baassi, Said Kerraj, Hatim Soufi, Younes Rachdi, Mohammed El Idrissi, Mohammed Salah, Mohammed Elalaoui Belghiti, Rachid Daoud and 1 more

Abstract read
In one paragraph

Article in International journal of molecular sciences, 2026. 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

11 authors.

Mohamed MoussaouiLaboratory of Physical Chemistry of Applied Materials (LCPMA), Faculty of Sciences Ben M'Sick, Hassan II University of Casablanca, Casablanca 20670, Morocco.ORCID 0000-0002-3363-0864
Soukayna BaammiChemical and Biochemical Sciences-Green Processing Engineering, Mohammed VI Polytechnic University, Ben Guerir 43150, Morocco.
Mouna BaassiLaboratory of Physical Chemistry of Applied Materials (LCPMA), Faculty of Sciences Ben M'Sick, Hassan II University of Casablanca, Casablanca 20670, Morocco.ORCID 0000-0002-5499-0762
Said KerrajLaboratory of Physical Chemistry of Applied Materials (LCPMA), Faculty of Sciences Ben M'Sick, Hassan II University of Casablanca, Casablanca 20670, Morocco.
Hatim SoufiLaboratory of Physical Chemistry of Applied Materials (LCPMA), Faculty of Sciences Ben M'Sick, Hassan II University of Casablanca, Casablanca 20670, Morocco.
Younes RachdiLaboratory of Physical Chemistry of Applied Materials (LCPMA), Faculty of Sciences Ben M'Sick, Hassan II University of Casablanca, Casablanca 20670, Morocco.
Mohammed El IdrissiChemical Processes and Applied Materials Team, Faculty Polydisciplinary Sultan Moulay Slimane University, Beni-Mellal 23000, Morocco.
Mohammed SalahTeam of Chemoinformatics Research and Spectroscopy and Quantum Chemistry, Department of Chemistry, Faculty of Science, University Chouaib Doukkali, B. P. 20, El Jadida 24000, Morocco.
Mohammed Elalaoui BelghitiLaboratory of Physical Chemistry of Applied Materials (LCPMA), Faculty of Sciences Ben M'Sick, Hassan II University of Casablanca, Casablanca 20670, Morocco.ORCID 0000-0002-3508-1563
Rachid DaoudChemical and Biochemical Sciences-Green Processing Engineering, Mohammed VI Polytechnic University, Ben Guerir 43150, Morocco.
Said BelaaouadLaboratory of Physical Chemistry of Applied Materials (LCPMA), Faculty of Sciences Ben M'Sick, Hassan II University of Casablanca, Casablanca 20670, Morocco.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

A library of thirty-one quinazoline derivatives was assessed as potential inhibitors of epidermal growth factor receptor kinase (EGFR) using 3D-QSAR methods, namely Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA). Training and test sets were generated by aligning the molecules to the lowest-energy conformer of the most active compound. The optimized models exhibited strong statistical performance, with R

Indexed as

ErbB ReceptorsMolecular Docking SimulationMolecular Dynamics SimulationProtein Kinase InhibitorsQuantitative Structure-Activity RelationshipQuinazolinesHumansEGFR protein, humanErbB ReceptorsProtein Kinase InhibitorsQuinazolines3D-QSARADMETanticancerCoMFACoMSIAEGFR inhibitorslung cancermolecular dockingmolecular dynamicquinazoline

Identifiers

PMID41596693
PMCPMC12842488

What OpenQuestion holds

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Registered trials

None linked

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.