- Design and synthesis of new nonsteroidal glucocorticoid modulators through application of an "agreement docking" method.
Design and synthesis of new nonsteroidal glucocorticoid modulators through application of an "agreement docking" method.
Journal of medicinal chemistry (2005-07-08)
Mike Barker, Margaret Clackers, Derek A Demaine, Davina Humphreys, Michael J Johnston, Haydn T Jones, Francois Pacquet, John M Pritchard, Mark Salter, Stephen E Shanahan, Philip A Skone, Victoria M Vinader, Iain Uings, Iain M McLay, Simon J F Macdonald
PMID15999989
ABSTRAKT
Structurally related glucocorticoid receptor (GR) binders were docked into the GR active site to select the binding mode closest to the true docking mode. This process, termed an "agreement docking method", led to the design of tetrahydronaphthalene 9. The method was validated by the syntheses of 9 and related analogues, which are potent binders of GR. 15a is a partial agonist while 9e and 15a are micromolar antagonists in a mouse mammary tumor virus transactivation assay.
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Sigma-Aldrich
Dexamethasone, powder, γ-irradiated, BioXtra, suitable for cell culture, ≥80% (HPLC)