Molecular Modeling and Molecular Dynamics Simulation Studies on the Interactions of Hydroxylated Polychlorinated Biphenyls with Estrogen Receptor-P

摘要

Polychlorinated biphenyls (PCBs) are synthetic environmental pollutants with two benzene rings. They are comprised of 209 different congeners based on the position and number of the attached chlorine atoms. PCBs have been used in a wide range of industrial applications. Due to concern about the adverse impact of PCBs on the environment, the production and use of PCBs has been restricted or banned in most countries. However, as persistent environmental contaminants and representative endocrine disruptors, PCBs have attracted more and more attention from ecological health and environmental perspectives (Hong et al. 2012; Helmfrid et al. 2012).