Evidence map›Paper›PMID 39113101›Full record

ArticleChemMedChem2024

Virtual and in Vitro Screening Employing a Repurposing Approach Reveal 13-cis-Retinoic Acid is a PTP1B Inhibitor.

Reyna Del Carmen Navarrete-Mondragón, Francisco Cortés-Benítez, Jessica Elena Mendieta-Wejebe, Martin González-Andrade, Jaime Pérez-Villanueva

Abstract read
In one paragraph

Article in ChemMedChem, 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. Hidden targets in dermatology:Journal of enzyme inhibition and medicinal chemistry · 2025
    Article
  2. Article
  3. 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

5 authors.

Reyna Del Carmen Navarrete-MondragónDoctorado en Ciencias Biológicas y de la Salud, Universidad Autónoma Metropolitana [1, Ciudad de México, 04960, México.ORCID 0009-0006-7073-2057
Francisco Cortés-BenítezDepartamento de Sistemas Biológicos, División de Ciencias Biológicas y de la Salud, Universidad Autónoma Metropolitana-Xochimilco [1, Ciudad de México, 04960, México.ORCID 0000-0002-3954-8220
Jessica Elena Mendieta-WejebeLaboratorio de Biofísica y Biocatálisis, Sección de Estudios de Posgrado e Investigación, Escuela Superior de Medicina, Instituto Politécnico Nacional, Plan de San Luis y Salvador Díaz Mirón s/n, Casco de Santo Tomás, Miguel Hidalgo, Ciudad de México, 11340, México.ORCID 0000-0002-2471-9875
Martin González-AndradeDepartamento de Bioquímica, Facultad de Medicina, Universidad Nacional Autónoma de México, Ciudad de México, 04510, México.ORCID 0000-0002-8910-3035
Jaime Pérez-VillanuevaDepartamento de Sistemas Biológicos, División de Ciencias Biológicas y de la Salud, Universidad Autónoma Metropolitana-Xochimilco [1, Ciudad de México, 04960, México.ORCID 0000-0001-5777-2536

Funding

computing time in the supercomputer "Yoltla" at the Laboratorio de Supercómputo y Visualización en Paralelo (LSVP)Consejo Nacional de Ciencia y Tecnología (CONAHCYT) 958146DGAPA-UNAM IN205025DGAPA-UNAM LANCAD-UNAM-DGTIC-313DGAPA-UNAM PAPIIT-IN203222División de Ciencias Biológicas y de la Salud UAM-Xochimilco" 34603031nvaluable technical support of Luz Vasquez-BochmPrograma Ciencia Frontera 2023 CF-2023-I-186
6 · The paper itself

Abstract

Current treatments for type 2 diabetes (T2D) mainly rely on exercise, dietary control, and anti-diabetic drugs to enhance insulin secretion and improve insulin sensitivity. However, there is a need for more therapeutic options, as approved drugs targeting different pharmacological objectives are still unavailable. One potential target that has attracted attention is the protein tyrosine phosphatase 1B (PTP1B), which negatively regulates the insulin signaling pathway. In this work, a comprehensive computational screening was carried out using cheminformatics and molecular docking on PTP1B, employing a rigorous repurposing approach. The screening involved approved drugs and compounds under research as anti-diabetics that bind to targets such as peroxisome proliferator-activated receptor gamma (PPAR-γ) and α-glucosidase. Several computational hits were then meticulously tested in vitro against PTP1B, with 13-cis-retinoic acid (3a) showing an IC

Indexed as

Drug RepositioningEnzyme InhibitorsIsotretinoinMolecular Docking SimulationProtein Tyrosine Phosphatase, Non-Receptor Type 1Dose-Response Relationship, DrugDrug Evaluation, PreclinicalHumansHypoglycemic AgentsMolecular Dynamics SimulationMolecular StructureStructure-Activity RelationshipEnzyme InhibitorsHypoglycemic AgentsIsotretinoinProtein Tyrosine Phosphatase, Non-Receptor Type 1PTPN1 protein, human13-cis-Retinoic acidDrug repositioningPolypharmacologyProtein tyrosine phosphatase 1B (PTP1B)Type 2 diabetes (T2D)Virtual screening

Identifiers

PMID39113101
PMCPMC11617665

What Socratic holds

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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.