Based on the 3D structure of the target protein (ERalphabeta, AR, PPARgamma, TRalphabeta, GR; CYP3A4) or a surrogate thereof (AhR), the Biographics Laboratory 3R has generated a series of virtual test kits and validated them against 693 compounds. In a pilot project (ToxDataBase), both existing and new drugs or environmental chemicals can be screened for their endocrine-disrupting potential or the probability to trigger drug-drug interactions in silico. After peer testing (2007-8), it is planned to make the database available on the Internet.
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