Modelling the interaction of steroid receptors with endocrine disrupting chemicals

Background: The organic polychlorinated compounds like dichlorodiphenyltrichloroethane with its metabolites and polychlorinated biphenyls are a class of highly persistent environmental contaminants. They have been recognized to have detrimental health effects both on wildlife and humans acting as endocrine disrupters due to their ability of mimicking the action of the steroid hormones, and thus interfering with hormone response. There are several experimental evidences that they bind and activate human steroid receptors. However, despite the growing concern about the toxicological activity of endocrine disrupters, molecular data of the interaction of these compounds with biological targets are still lacking. Results: We have used a flexible docking approach to characterize the molecular interaction of seven endocrine disrupting chemicals with estrogen, progesterone and androgen receptors in the ligand-binding domain. All ligands docked in the buried hydrophobic cavity corresponding to...

• Type: Journal
• Year: 2005
• Where: BMCBI
• Authors: Pasqualina D'Ursi, Erika Salvi, Paola Fossa, Luciano Milanesi, Ermanna Rovida
• Keywords: BMCBI 2005, Organic Polychlorinated Compounds, Steroid, Steroid Receptors