Evidence mapPaperPMID 41516337Full record

ArticleInternational journal of molecular sciences2026

Multicomplex Pharmacophore Modeling of Estrogen Receptors Suggests the Probable Repurposing of Procaterol as an Antiproliferative Agent Against Breast Cancer Cells.

Luis Heriberto Vazquez-Mendoza, Humberto L Mendoza-Figueroa, Nadia Judith Jacobo-Herrera, Norbert Bakalara, Daphne Edith González-Juárez, José Correa-Basurto, Juan Benjamín García-Vázquez

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 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. 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

7 authors.

Luis Heriberto Vazquez-MendozaLaboratorio de Diseño y Desarrollo de Nuevos Fármacos e Innovación Biotecnológica (Laboratory for the Design and Development of New Drugs and Biotechnological Innovation), Escuela Superior de Medicina del Instituto Politécnico Nacional (ESM-IPN), Plan de San Luis y Salvador Díaz Mirón S/N, Casco de Santo Tomás, Mexico City 11340, Mexico.ORCID 0000-0002-0219-3139
Humberto L Mendoza-FigueroaLaboratorio de Diseño y Desarrollo de Nuevos Fármacos e Innovación Biotecnológica (Laboratory for the Design and Development of New Drugs and Biotechnological Innovation), Escuela Superior de Medicina del Instituto Politécnico Nacional (ESM-IPN), Plan de San Luis y Salvador Díaz Mirón S/N, Casco de Santo Tomás, Mexico City 11340, Mexico.ORCID 0000-0002-1356-4281
Nadia Judith Jacobo-HerreraUnidad de Bioquímica, Instituto Nacional de Ciencias Médicas y Nutrición Salvador Zubirán, Mexico City 14080, Mexico.ORCID 0000-0002-1026-3774
Norbert BakalaraEcole Nationale Supérieure de Technologie des Biomolécules de Bordeaux (ENSTBB), Université de Bordeaux, CNRS, Bordeaux INP, CBMN, UMR 5248, F-33600 Pessac, France.ORCID 0000-0001-7412-5891
Daphne Edith González-JuárezDivisión de Biología Molecular, Instituto Potosino de Investigación Científica y Tecnológica (DBM-IPICYT), y Secretaría de Ciencia, Humanidades, Tecnología e Innovación (SECIHTI), San Luis Potosí 78216, Mexico.ORCID 0000-0002-2476-2726
José Correa-BasurtoLaboratorio de Diseño y Desarrollo de Nuevos Fármacos e Innovación Biotecnológica (Laboratory for the Design and Development of New Drugs and Biotechnological Innovation), Escuela Superior de Medicina del Instituto Politécnico Nacional (ESM-IPN), Plan de San Luis y Salvador Díaz Mirón S/N, Casco de Santo Tomás, Mexico City 11340, Mexico.ORCID 0000-0002-4973-5265
Juan Benjamín García-VázquezLaboratorio de Diseño y Desarrollo de Nuevos Fármacos e Innovación Biotecnológica (Laboratory for the Design and Development of New Drugs and Biotechnological Innovation), Escuela Superior de Medicina del Instituto Politécnico Nacional (ESM-IPN), Plan de San Luis y Salvador Díaz Mirón S/N, Casco de Santo Tomás, Mexico City 11340, Mexico.ORCID 0000-0003-1930-5288

Funding

Secretaría de Ciencia Tecnología e Innovación CBF-2025-I-3360
6 · The paper itself

Abstract

Breast cancer (BC) is a malignant tumor that develops in the mammary gland due to uncontrolled cell proliferation. Estrogen receptor (ER) signaling, mediated by 17β-estradiol (E2), plays a crucial role in regulating cell proliferation, differentiation, and survival. Specifically, the binding of E2 to the estrogen receptor alpha (ERα) increases cell proliferation. Conversely, selective estrogen receptor beta (ERβ) agonists inhibit cancer cell proliferation by suppressing the expression of oncogenes, making ERβ an important therapeutic target. Given the urgent need for targeted and effective therapies for BC, we implemented a strategy based on multicomplex pharmacophores modeling of ERβ (MPMERβ) and ERα (MPMERα), performing a virtual cross-screening of databases of clinically approved and experimental drugs to identify those with high affinity and stereoelectronic complementarity with the ERβ agonist pharmacophore hypothesis. The implementation of a chemoinformatic strategy enabled the identification of Sobetirome, Labetalol, and Procaterol as molecular hits on the ERβ pharmacophore map. Procaterol showed the most significant antiproliferative activity in vitro assays, with IC

Indexed as

Antineoplastic AgentsBreast NeoplasmsDrug RepositioningEstrogen Receptor alphaEstrogen Receptor betaProcaterolCell ProliferationFemaleHumansMCF-7 CellsMDA-MB-231 CellsModels, MolecularMolecular Docking SimulationPharmacophoreAntineoplastic AgentsEstrogen Receptor alphaEstrogen Receptor betaProcaterolbreast cancerdrug repurposingestrogen receptor alphaestrogen receptor betapharmacophore modelingprocaterol

Identifiers

PMID41516337
PMCPMC12786801

What Socratic holds

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LicenceCC BY
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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 Socratic graph.