title: The Bisphenol A analogue Bisphenol S binds to K-Ras4B--implications for 'BPA-free' plastics.
abstract: K-Ras4B is a small GTPase that belongs to the Ras superfamily of guanine nucleotide-binding proteins. GTPases function as molecular switches in cells and are key players in intracellular signalling. Ras has been identified as an oncogene and is mutated in more than 20% of human cancers. Here, we report that Bisphenol S binds into a binding pocket of K-Ras4B previously identified for various low molecular weight compounds. Our results advocate for more comprehensive safety studies on the toxicity of Bisphenol S, as it is frequently used for Bisphenol A-free food containers.
authors: Faculty of Chemistry and Biochemistry, Ruhr University of Bochum, Germany.
authors: Miriam
authors: M
authors: Schöpel
authors: Faculty of Chemistry and Biochemistry, Ruhr University of Bochum, Germany.
authors: Christian
authors: C
authors: Herrmann
authors: Faculty of Chemistry, University of Wuppertal, Germany.
authors: Jürgen
authors: J
authors: Scherkenbeck
authors: Faculty of Chemistry and Biochemistry, Ruhr University of Bochum, Germany.
authors: Raphael
authors: R
authors: Stoll
mesh_terms: D001559:Benzhydryl Compounds / Q000737:chemistry / Q000378:metabolism / Q000633:toxicity; D001665:Binding Sites; D052244:Endocrine Disruptors / Q000737:chemistry / Q000378:metabolism* / Q000633:toxicity; D006801:Humans; D007700:Kinetics; D008024:Ligands; D008958:Models, Molecular; D008968:Molecular Conformation; D062105:Molecular Docking Simulation; D008970:Molecular Weight; D019906:Nuclear Magnetic Resonance, Biomolecular; D010636:Phenols / Q000737:chemistry / Q000378:metabolism* / Q000633:toxicity; D010968:Plasticizers / Q000737:chemistry / Q000378:metabolism* / Q000633:toxicity; D016283:Proto-Oncogene Proteins p21(ras) / Q000737:chemistry / Q000235:genetics / Q000378:metabolism*; D011994:Recombinant Proteins / Q000737:chemistry / Q000235:genetics / Q000378:metabolism; D020664:Son of Sevenless Proteins / Q000737:chemistry / Q000378:metabolism; D013450:Sulfones / Q000737:chemistry / Q000378:metabolism* / Q000633:toxicity; D000098831:Bisphenol S Compounds; D000098826:Bisphenol A Compounds
chemical_list: D001559:Benzhydryl Compounds; D052244:Endocrine Disruptors; D008024:Ligands; D010636:Phenols; D010968:Plasticizers; D016283:Proto-Oncogene Proteins p21(ras); D011994:Recombinant Proteins; D020664:Son of Sevenless Proteins; D013450:Sulfones; C117307:KRAS protein, human; C543008:bisphenol S; D000098831:Bisphenol S Compounds; C006780:bisphenol A; D000098826:Bisphenol A Compounds
keywords: Bisphenol A; Bisphenol S; K-Ras4B; NMR spectroscopy; nucleotide exchange; plastic food containers