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Elucidating the mechanism of phthalates induced osteoporosis through network toxicology and molecular docking

Xiao Zhang1, Xi Zhu2, Wenbo Gu2

  • 1General Hospital of Ningxia Medical University, Ningxia 750001, China; The First Clinical Medical College of Ningxia Medical University, Ningxia 750001, China.

Ecotoxicology and Environmental Safety
|January 30, 2025
PubMed
Abstract

Insights

Plasticizers (phthalates) may contribute to osteoporosis by affecting specific genes and pathways. Molecular docking confirms plasticizers bind to target proteins, impacting bone health.

Area of Science:

  • Environmental Health
  • Molecular Biology
  • Toxicology

Background:

  • Osteoporosis (OP) is a significant public health concern.
  • Plasticizers, such as phthalates, are widely used chemicals with potential endocrine-disrupting properties.
  • Understanding the molecular mechanisms linking plasticizer exposure to OP pathogenesis is crucial.

Purpose of the Study:

  • To investigate the effects of plasticizers on osteoporosis pathogenesis.
  • To identify key genes and molecular pathways involved in plasticizer-induced OP.
  • To elucidate the binding interactions between plasticizers and target proteins.

Main Methods:

  • Differential gene expression analysis using machine learning on public datasets.
  • Network toxicology and molecular docking to predict plasticizer-protein interactions.
  • Identification of potential target genes and core genes associated with OP.

Main Results:

  • Identified 29 potential target genes for plasticizer-induced OP.
  • Six core target genes were identified: CKM and SOAT2 (up-regulated), TACR3, SGK1, ERAP2, and MMP12 (down-regulated).
  • Molecular docking confirmed specific binding effects between plasticizers and target proteins.

Conclusions:

  • Plasticizers may influence OP pathogenesis by targeting specific genes and pathways.
  • Distinct binding specificities were observed between plasticizers and target proteins.
  • Results provide a basis for further research on plasticizer-induced OP and potential interventions.
Keywords:
BioinformaticsMachine learningMolecular dockingOsteoporosisPhthalatesPlasticizers

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