Structure-based design and synthesis of a thyroid hormone receptor (TR) antagonist

Endocrinology. 2002 Feb;143(2):517-24. doi: 10.1210/endo.143.2.8617.

Abstract

Antagonists have been developed for several nuclear receptors but not for others, including TRs. TR antagonists may have significant clinical utility for treating hormone excess states and other conditions. A structure derived "extension hypothesis" was applied to synthesize a TR antagonist. The principal design feature was to attach an extension group to a TR agonist whose structure would perturb formation of the TR coactivator-binding surface. The compound, 3,5-dibromo-4-(3',5'-diisopropyl-4'-hydroxyphenoxy)benzoic acid, has no (TRalpha) or very weak partial (TRbeta) TR agonist activity and blocks TR binding of T3, formation of the coactivator-binding surface, and both a positive T3 response on a thyroid hormone response element and a negative T3 response on the TSHbeta promoter in cultured cells. The results suggest that 3,5-dibromo-4-(3',5'-diisopropyl-4'-hydroxyphenoxy)benzoic acid is a TR antagonist for thyroid hormone response element-mediated responses, this approach can be used more generally to generate nuclear receptor antagonists, and this compound or analogues may have medical and research utility.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Alkaline Phosphatase / metabolism
  • Animals
  • Benzoates / chemical synthesis*
  • Benzoates / pharmacology*
  • Bromobenzoates
  • CHO Cells
  • Cell Line
  • Cloning, Molecular
  • Cricetinae
  • Crystallography
  • Drug Design
  • Electrophoresis, Polyacrylamide Gel
  • Genes, Reporter
  • Genetic Vectors
  • Hormone Antagonists / chemical synthesis*
  • Hormone Antagonists / pharmacology*
  • Humans
  • Phenyl Ethers
  • Placenta / enzymology
  • Receptors, Thyroid Hormone / antagonists & inhibitors*
  • Receptors, Thyroid Hormone / chemistry
  • Receptors, Thyroid Hormone / genetics
  • Structure-Activity Relationship
  • Transfection

Substances

  • 3,5'-dibromo-4-(3',5'-diisopropyl-4'-hydroxyphenoxy)benzoic acid
  • Benzoates
  • Bromobenzoates
  • Hormone Antagonists
  • Phenyl Ethers
  • Receptors, Thyroid Hormone
  • Alkaline Phosphatase