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Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
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The Potential of Molecular Docking for Predictive Toxicology

Pietro Cozzini1, Federica Agosta2

  • 1Molecular Modeling Lab. Food and Drug Department, University of Parma, Parma, Italy. pietro.cozzini@unipr.it.

Methods in Molecular Biology (Clifton, N.J.)
|September 23, 2024
PubMed
Summary

This study used molecular docking to identify potential endocrine disruptors, specifically focusing on food contact chemicals that may affect the peroxisome proliferator-activated receptor alpha (PPARα) involved in metabolism.

Keywords:
Food contact chemicalsMolecular dockingPeroxisome proliferator-activated receptor alpha receptorsStructure-based approaches

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