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Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow
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Poly- and perfluorinated compounds activate human pregnane X receptor.

Yi-Ming Zhang1, Xiao-Yu Dong1, Li-Juan Fan1

  • 1School of Basic Medical Sciences, Nanjing Medical University, Nanjing 211166, China.

Toxicology
|January 25, 2017
PubMed
Summary

Poly- and perfluorinated compounds (PFCs) activate the human pregnane X receptor (hPXR). This interaction, influenced by PFC structure, may explain their potential endocrine-disrupting effects.

Keywords:
Human pregnane X receptorPFCsPoly- and perfluorinated compoundsReporter gene assayshPXR

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Area of Science:

  • Environmental Chemistry
  • Toxicology
  • Molecular Biology

Background:

  • Poly- and perfluorinated compounds (PFCs) are globally detected environmental contaminants.
  • PFCs are suspected of causing endocrine-disrupting hormonal effects.
  • The human pregnane X receptor (hPXR) is a key regulator of xenobiotic metabolism and has been implicated in endocrine disruption.

Purpose of the Study:

  • To investigate the activity of various PFCs against the human pregnane X receptor (hPXR).
  • To identify critical structural features of PFCs responsible for hPXR activation.
  • To elucidate the mechanism of PFC interaction with and activation of hPXR.

Main Methods:

  • Cell-based reporter gene assays were utilized to assess hPXR activity.
  • Molecular docking studies were performed to model PFC-hPXR interactions.
  • Site-directed mutagenesis was employed to identify key amino acid residues involved in binding.

Main Results:

  • All tested PFCs demonstrated the ability to activate hPXR.
  • PFC activity correlated with carbon chain length and functional group.
  • Hydrogen bonding was identified as a key interaction mechanism between PFCs and hPXR.
  • Specific residues within the hPXR ligand-binding pocket crucial for PFC interaction were identified.

Conclusions:

  • PFCs activate hPXR through specific structural interactions, including hydrogen bonding.
  • The findings provide insight into the molecular mechanism of PFC-mediated hPXR activation.
  • PFC activation of hPXR may contribute to their potential endocrine-disrupting hormonal effects.