ArticleMolecules (Basel, Switzerland)2023
How the Structure of Per- and Polyfluoroalkyl Substances (PFAS) Influences Their Binding Potency to the Peroxisome Proliferator-Activated and Thyroid Hormone Receptors-An In Silico Screening Study.
Article in Molecules (Basel, Switzerland), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed.
- Analysis of transcriptomic alterations induced by 33 different per- and polyfluoroalkyl substances (PFAS) in differentiated HepaRG cells.Archives of toxicology · 2026Article
- PFAS Exposure and Metabolic Disorders: Mechanistic Insights into Lipid and Glucose Homeostasis.Biomolecules · 2026Review
- Comparative Hepatotoxicity Assessment of PFOS and Its Alternative 6:2 FTSA in Adult Female Zebrafish.Animals : an open access journal from MDPI · 2026Article
- Exposure to per- and polyfluoroalkyl substances and adult cardiometabolic health: a Canadian Health Measures Survey mixture analysis.Environmental health : a global access science source · 2026Article
- PPARs, L-FABP mediate the association between Per- and polyfluoroalkyl substances and gestational diabetes: a nested case-control study.Scientific reports · 2026Article
- Prenatal PFAS exposure and offspring health: evidence review and implications for intergenerational risk assessment.Frontiers in public health · 2026Review
- Molecular Determinants of Per- and Polyfluoroalkyl Substances Binding to Estrogen Receptors.Toxics · 2025Article
- Review
- Evaluation of Endocrine Disruptome and VirtualToxLab for Predicting Per- and Polyfluoroalkyl Substances Binding to Nuclear Receptors.Journal of xenobiotics · 2025Article
- Occurrence, Sources, and Prioritization of Per- and Polyfluoroalkyl Substances (PFASs) in Drinking Water from Yangtze River Delta, China: Focusing on Emerging PFASs.Molecules (Basel, Switzerland) · 2025Article
- Large-Scale Screening of Per- and Polyfluoroalkyl Substance Binding Interactions and Their Mixtures with Nuclear Receptors.International journal of molecular sciences · 2024Article
- Article
- A 2024 inventory of test methods relevant to thyroid hormone system disruption for human health and environmental regulatory hazard assessment.Open research Europe · 2024Review
Corrections and comments
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Authors and funding
7 authors.
Funding
Abstract
In this study, we investigated PFAS (per- and polyfluoroalkyl substances) binding potencies to nuclear hormone receptors (NHRs): peroxisome proliferator-activated receptors (PPARs) α, β, and γ and thyroid hormone receptors (TRs) α and β. We have simulated the docking scores of 43 perfluoroalkyl compounds and based on these data developed QSAR (Quantitative Structure-Activity Relationship) models for predicting the binding probability to five receptors. In the next step, we implemented the developed QSAR models for the screening approach of a large group of compounds (4464) from the NORMAN Database. The in silico analyses indicated that the probability of PFAS binding to the receptors depends on the chain length, the number of fluorine atoms, and the number of branches in the molecule. According to the findings, the considered PFAS group bind to the PPARα, β, and γ only with low or moderate probability, while in the case of TR α and β it is similar except that those chemicals with longer chains show a moderately high probability of binding.
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Registered trials
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