title: Synthesis of a spin-labeled anti-estrogen as a dynamic motion probe for the estrogen receptor ligand binding domain.
abstract: The preparation and characterization of a novel nitroxide spin probe based on a steroidal anti-estrogen is described. The probe 5 demonstrated very high binding affinity for both the alpha and beta isoforms of the estrogen receptor-ligand binding domain. EPR spectrometric studies demonstrate conformational constraints for the ligand, consistent with the nitroxyl moiety occupying a position just beyond the receptor-solvent interface.
authors.affiliation: Department of Chemistry and Chemical Biology, Northeastern University, Boston, MA 02115-5000, United States.
authors.forename: J Adam
authors.initials: JA
authors.lastname: Hendricks
authors.forename: Stefano V
authors.initials: SV
authors.lastname: Gullà
authors.forename: David E
authors.initials: DE
authors.lastname: Budil
authors.forename: Robert N
authors.initials: RN
authors.lastname: Hanson
mesh_terms: D004578:Electron Spin Resonance Spectroscopy; D004965:Estrogen Antagonists / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D047628:Estrogen Receptor alpha / Q000187:drug effects / Q000378:metabolism*; D008024:Ligands; D008958:Models, Molecular; D015394:Molecular Structure; D009589:Nitrogen Oxides / Q000737:chemistry; D011485:Protein Binding / Q000187:drug effects; D020033:Protein Isoforms / Q000378:metabolism; D017434:Protein Structure, Tertiary; D011960:Receptors, Estrogen / Q000187:drug effects / Q000378:metabolism*
chemical_list: C506487:ESR1 protein, human; D004965:Estrogen Antagonists; D047628:Estrogen Receptor alpha; D008024:Ligands; D009589:Nitrogen Oxides; D020033:Protein Isoforms; D011960:Receptors, Estrogen