MiSSE coworker at Umeå University have been involved in the development of a model to help identify which of the chemicals found in household dust might be binding to the thyroid receptor and thus disrupting the signaling process. The model incorporates multiple crystal structures of the β1 form of the human thyroid receptor, each complexed with a different ligand and with a slightly different conformation of the ligand binding site. This model was used to screen a collection of 485 previously identified indoor dust contaminants (Zhang et al 2015) to determine which ones, if any, might target the thyroid receptor. In that set, the model identified 31 of the compounds as possible thyroid receptor binders. Of five purchased and tested predicted binders could 4 be positive confirmed. The information produced from the model could be used to prioritize chemicals for experimental testing.
This publication was highlighted in Chemical & Engineering News magazine.
Zhang et al. 2016 Chem. Res. Toxicol. 29 (8), pp 1345–1354, DOI: 10.1021/acs.chemrestox.6b00171