ArticlePloS one2015
The molecular mechanism of bisphenol A (BPA) as an endocrine disruptor by interacting with nuclear receptors: insights from molecular dynamics (MD) simulations.
Article in PloS one, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 43 papers, 2 of them syntheses that pooled it.
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Who cites it
43 citing papers in PubMed, 2 syntheses or guidelines pooled it.
- Systematic transcriptome-wide meta-analysis across endocrine disrupting chemicals reveals shared and unique liver pathways, gene networks, and disease associations.Environment international · 2024Pooled it
- Pooled it
- A Computational Framework to Evaluate Interactions of BPA and Its Analogs with Human Liver X Receptor-Beta for Health Risk Assessment.Chemical research in toxicology · 2026Article
- Food contaminants: mechanisms of toxicity, computational assessment, and mitigation.Frontiers in toxicology · 2025Review
- Insight into the Binding Interaction between PEDCs and hERRγ Utilizing Molecular Docking and Molecular Dynamics Simulations.Molecules (Basel, Switzerland) · 2024Article
- Molecular docking and molecular dynamics simulation decoding molecular mechanism of EDCs binding to hERRγ.Journal of molecular modeling · 2024Article
- Development of an On-Column Trace Enrichment Method for the Determination of Sub-International journal of analytical chemistry · 2024Article
- Deleterious Biological Effects of Endocrine Disruptors: An Insight into Human Health Risks.Endocrine, metabolic & immune disorders drug targets · 2024Review
- The State of Research and Weight of Evidence on the Epigenetic Effects of Bisphenol A.International journal of molecular sciences · 2023Article
- The passive avoidance task ameliorate the toxic effects of bisphenol A on dopamine D1 receptor density in hippocampus, amygdala, and cerebellum of male rats.Brain and behavior · 2023Article
- Molecular dynamics of the ERRγ ligand-binding domain bound with agonist and inverse agonist.PloS one · 2023Article
- Article
- Article
- Monomer Release from Dental Resins: The Current Status on Study Setup, Detection and Quantification for In Vitro Testing.Polymers · 2022Review
- A MinireviewFrontiers in bioengineering and biotechnology · 2022Review
- Bisphenols A and F, but not S, induce apoptosis in bovine granulosa cellsFrontiers in endocrinology · 2022Article
- Autism-Related Transcription Factors Underlying the Sex-Specific Effects of Prenatal Bisphenol A Exposure on Transcriptome-Interactome Profiles in the Offspring Prefrontal Cortex.International journal of molecular sciences · 2021Article
- BPA and BPS affect the expression of anti-Mullerian hormone (AMH) and its receptor during bovine oocyte maturation and early embryo development.Reproductive biology and endocrinology : RB&E · 2021Article
- Fighting Bisphenol A-Induced Male Infertility: The Power of Antioxidants.Antioxidants (Basel, Switzerland) · 2021Review
- Inflammatory Bowel Disease: New Insights into the Interplay between Environmental Factors and PPARγ.International journal of molecular sciences · 2021Review
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Bisphenol A (BPA) can interact with nuclear receptors and affect the normal function of nuclear receptors in very low doses, which causes BPA to be one of the most controversial endocrine disruptors. However, the detailed molecular mechanism about how BPA interferes the normal function of nuclear receptors is still undiscovered. Herein, molecular dynamics simulations were performed to explore the detailed interaction mechanism between BPA with three typical nuclear receptors, including hERα, hERRγ and hPPARγ. The simulation results and calculated binding free energies indicate that BPA can bind to these three nuclear receptors. The binding affinities of BPA were slightly lower than that of E2 to these three receptors. The simulation results proved that the binding process was mainly driven by direct hydrogen bond and hydrophobic interactions. In addition, structural analysis suggested that BPA could interact with these nuclear receptors by mimicking the action of natural hormone and keeping the nuclear receptors in active conformations. The present work provided the structural evidence to recognize BPA as an endocrine disruptor and would be important guidance for seeking safer substitutions of BPA.
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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 OpenQuestion graph.