title: A model for thyroid hormone--receptor interactions.
abstract: Theoretical electronic structure calculations on the thyroid hormones and analogues, as well as model hormone--receptor interactions, have been carried out. These studies (a) support the concept that the 4'-OH group is a H-bond donor to the in vivo nuclear receptor and suggest that at the receptor this OH group is trans to the 3' (distal) substituent; (b) indicate that there is an important intramolecular interaction between 3' and 4' substituents, and those 3' substituents that most favor both 4' OH orientation trans to the 3' group and a more acidic OH group substantially increase binding and biological activity; and (c) support the concept that there is a direct correlation between the conformational free energy of the aromatic rings and biological activity.
mesh_terms: D000818:Animals; D066298:In Vitro Techniques; D008962:Models, Theoretical; D008968:Molecular Conformation; D010636:Phenols; D051381:Rats; D011956:Receptors, Cell Surface / Q000378:metabolism*; D013329:Structure-Activity Relationship; D013963:Thyroid Hormones / Q000378:metabolism*; D014867:Water
chemical_list: D010636:Phenols; D011956:Receptors, Cell Surface; D013963:Thyroid Hormones; D014867:Water