title: Phytoestrogens and Mycoestrogens Induce Signature Structure Dynamics Changes on Estrogen Receptor α.
abstract: Endocrine disrupters include a broad spectrum of chemicals such as industrial chemicals, natural estrogens and androgens, synthetic estrogens and androgens. Phytoestrogens are widely present in diet and food supplements; mycoestrogens are frequently found in grains. As human beings and animals are commonly exposed to phytoestrogens and mycoestrogens in diet and environment, it is important to understand the potential beneficial or hazardous effects of estrogenic compounds. Many bioassays have been established to study the binding of estrogenic compounds with estrogen receptor (ER) and provided rich data in the literature. However, limited assays can offer structure information with regard to the ligand/ER complex. Our current study surveys the global structure dynamics changes for ERα ligand binding domain (LBD) when phytoestrogens and mycoestrogens bind. The assay is based on the structure dynamics information probed by hydrogen deuterium exchange mass spectrometry and offers a unique viewpoint to elucidate the mechanism how phytoestrogens and mycoestrogens interact with estrogen receptor. The cluster analysis based on the hydrogen deuterium exchange (HDX) assay data reveals a unique pattern when phytoestrogens and mycoestrogens bind with ERα LBD compared to that of estradiol and synthetic estrogen modulators. Our study highlights that structure dynamics could play an important role in the structure function relationship when endocrine disrupters interact with estrogen receptors.
authors: Department of Veterinary Pathology, Texas A&M University, College Station, TX 77843, USA. xychen231@hotmail.com.
authors: Xueyan
authors: X
authors: Chen
authors: Department of Plant Pathology and Microbiology, Texas A&M University, College Station, TX 77843, USA. uguruzuner@ktu.edu.tr.|Department of Molecular Biology and Genetics, Karadeniz Technical University, Trabzon 61080, Turkey. uguruzuner@ktu.edu.tr.
authors: Ugur
authors: U
authors: Uzuner
authors: Department of Plant Pathology and Microbiology, Texas A&M University, College Station, TX 77843, USA. mandyli034@gmail.com.|Institute for Plant Genomics and Biotechnology, Texas A&M University, College Station, TX 77843, USA. mandyli034@gmail.com.
authors: Man
authors: M
authors: Li
authors: Department of Plant Pathology and Microbiology, Texas A&M University, College Station, TX 77843, USA. grayshiwb@gmail.com.|Institute for Plant Genomics and Biotechnology, Texas A&M University, College Station, TX 77843, USA. grayshiwb@gmail.com.
authors: Weibing
authors: W
authors: Shi
authors: Department of Plant Pathology and Microbiology, Texas A&M University, College Station, TX 77843, USA. syuan@tamu.edu.|Department of Molecular Biology and Genetics, Karadeniz Technical University, Trabzon 61080, Turkey. syuan@tamu.edu.|Institute for Plant Genomics and Biotechnology, Texas A&M University, College Station, TX 77843, USA. syuan@tamu.edu.
authors: Joshua S
authors: JS
authors: Yuan
authors: Department of Veterinary Pathology, Texas A&M University, College Station, TX 77843, USA. susie@otsc.tamu.edu.|Office of the Taxes State Chemist, Texas A&M University, College Station, TX 77843, USA. susie@otsc.tamu.edu.
authors: Susie Y
authors: SY
authors: Dai
mesh_terms: D000818:Animals; D001667:Binding, Competitive; D001681:Biological Assay; D047628:Estrogen Receptor alpha / Q000737:chemistry* / Q000378:metabolism*; D006801:Humans; D008024:Ligands; D048789:Phytoestrogens / Q000494:pharmacology*; D011485:Protein Binding; D000072417:Protein Domains / Q000187:drug effects; D013329:Structure-Activity Relationship
chemical_list: D047628:Estrogen Receptor alpha; D008024:Ligands; D048789:Phytoestrogens
keywords: estrogen receptor; mass spectrometry; mycoestrogen; phytoestrogen; structure dynamics