Novel Estrogen Receptor Inhibitory Mechanism for Halogen-containing Endocrine-disrupting Chemicals Discovered by Computer Simulation

Abstract

Bisphenol A (BPA) is a component used in the manufacture of polycarbonate plastics and epoxy resins around the world; however, it is also well─ known as one of the most notorious endocrine─ disrupting chemicals. To avoid using BPA as an ingredient, various BPA derivatives and related compounds have been synthesized and the use of these for making polymers has grown signi cantly; however, the safety of these BPA derivatives, also known as next─ generation bisphenols, has not been fully evaluated. We hypothesized that the bisphenol moiety is a privileged structure for binding to nuclear receptors. Here, we summarize the binding ability of next─ generation bisphenols to estrogen receptors and show that halogen─ containing bisphenols act as coactivator binding inhibitors for estrogen receptor β.