Evidence mapPaperPMID 42572067Full record

ArticleJournal of computer-aided molecular design2026

QSAR, molecular dynamics, and biological evaluation of novel myeloperoxidase inhibitors via ligand-based pharmacophore modeling as potential anticancer agents.

Maysoon Raed Alnajdawi, Habibah A Wahab, Belal O Al-Najjar, Ibrahim D Aldeeb, Mansour Al-Sayed Ahmad, Ali Attiq, Waqas Ahmad

Abstract read
PubMed Publisher
In one paragraph

Article in Journal of computer-aided molecular design, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing 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

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

7 authors.

Maysoon Raed AlnajdawiSchool of Pharmaceutical Sciences, Universiti Sains Malaysia, 11800, Penang, Malaysia.ORCID http://orcid.org/0009-0006-9939-0804
Habibah A WahabSchool of Pharmaceutical Sciences, Universiti Sains Malaysia, 11800, Penang, Malaysia. habibahw@usm.my.ORCID http://orcid.org/0000-0002-8353-8679
Belal O Al-NajjarDepartment of Pharmaceutical Sciences, Faculty of Pharmacy, Al-Ahliyya Amman University, Amman, 19328, Jordan.ORCID http://orcid.org/0000-0001-6811-1792
Ibrahim D AldeebDepartment of Pharmacy, Faculty of Health Sciences, American University of Madaba, Madaba, Jordan.ORCID http://orcid.org/0000-0002-7387-0598
Mansour Al-Sayed AhmadDepartment of Pharmaceutical Sciences, Faculty of Pharmacy, Al-Ahliyya Amman University, Amman, 19328, Jordan.ORCID http://orcid.org/0009-0009-4408-0560
Ali AttiqSchool of Pharmaceutical Sciences, Universiti Sains Malaysia, 11800, Penang, Malaysia.ORCID http://orcid.org/0000-0001-9430-0255
Waqas AhmadSchool of Pharmaceutical Sciences, Universiti Sains Malaysia, 11800, Penang, Malaysia. waqas@usm.my.ORCID http://orcid.org/0000-0001-7241-6302

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Myeloperoxidase (MPO) has shown promise as a therapeutic target due to its critical role in inflammatory mechanisms and cancer progression. Despite extensive research on MPO inhibitors, the lack of integrated computational-experimental workflows constrains the efficient identification and validation of biologically relevant candidates. Hence, in this study, a ligand-based pharmacophore model of MPO inhibitors was developed to identify crucial molecular features required for inhibition. A quantitative structure-activity relationship (QSAR) model was built using the Genetic Function Approximation (GFA) algorithm, and the model statistics were found to be statistically significant (R

Indexed as

Antineoplastic AgentsEnzyme InhibitorsPeroxidaseCell Line, TumorDrug DesignHumansLigandsMolecular Docking SimulationMolecular Dynamics SimulationPharmacophoreQuantitative Structure-Activity RelationshipAntineoplastic AgentsEnzyme InhibitorsLigandsMPO protein, humanPeroxidaseCancerMolecular dynamicsMyeloperoxidasePharmacophoreQSARVirtual screening

Identifiers

What Socratic holds

Textmetadata
Read underepoch 390

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 Socratic graph.