(-) Arctigenin and (+) pinoresinol are antagonists of the human thyroid hormone receptor β.
Lignans are important biologically active dietary polyphenolic compounds. Consumption of foods that are rich in lignans is associated with positive health effects. Using modeling tools to probe the ligand-binding pockets of molecular receptors, we found that lignans have high docking affinity for the human thyroid hormone receptor β. Follow-up experimental results show that lignans (-) arctigenin and (+) pinoresinol are antagonists of the human thyroid hormone receptor β. The modeled complexes show key plausible interactions between the two ligands and important amino acid residues of the receptor.
Department of Chemistry and Biochemistry, Jackson State University , Jackson, Mississippi 39217, United States.
Ifedayo Victor
IV
Ogungbe
Rebecca A
RA
Crouch
Teresa
T
Demeritte
D005663:Furans / Q000378:metabolism / Q000494:pharmacology*; D006801:Humans; D006860:Hydrogen Bonding; D017705:Lignans / Q000378:metabolism / Q000494:pharmacology*; D062105:Molecular Docking Simulation; D017434:Protein Structure, Tertiary; D037042:Thyroid Hormone Receptors beta / Q000037:antagonists & inhibitors* / Q000737:chemistry / Q000378:metabolism
D005663:Furans; D017705:Lignans; D037042:Thyroid Hormone Receptors beta; C071942:arctigenin; C103298:pinoresinol