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In silico molecular interaction of bisphenol analogues with human nuclear receptors reveals their stronger affinity vs. classical bisphenol A.

Shikha SharmaShahzad AhmadMohemmed Faraz KhanSuhel ParvezSheikh Raisuddin
Published in: Toxicology mechanisms and methods (2018)
Some of the bisphenol analogues showed a stronger binding affinity with PPAR and RXR compared to BPA implying that BPA substitutes may not be fully safe and chemico-biological interactions indicate their toxic potential. These results may also serve to plan further studies for determining safety profile of bisphenol analogues and be helpful in risk characterization.
Keyphrases
  • molecular docking
  • structure activity relationship
  • endothelial cells
  • insulin resistance
  • single molecule
  • type diabetes
  • binding protein
  • skeletal muscle
  • dna binding