EVALUATION OF THE ESTROGENIC EFFECT OF POLYCHLORINATED BIPHENYLS WITH REGARD TO THEIR METABOLIC ACTIVATION BY APPLICATION OF IN SILICO TECHNOLOGIES
Published: 1 Jun 2014
Abstract: Hydroxylated polychlorinated biphenyls (OH-PCBs) major metabolites of PCBs, have been reported to present affinity to the estrogen receptor and induce receptor-mediated responses. The early identification of PCBs which may act as estrogen binders was investigated by making use of computational tools for chemical risk assessment. As an area of growing concern a strategy for development of such tools is one of the primary tasks of governmental and international organizations. In the current study the estrogenic potential of several PCBs is analyzed by using widely accepted and standardized computational program. The obtained results suggest that the system is equipped with scientific reliable modules for prediction of the estrogenic potential of diverse chemicals as well as robust machinery for adequate metabolism simulation.
Keywords: estrogen receptor, qsar, polychlorinated biphenyls (pcbs), metabolic activation, in silicon tools
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