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Compositions and methods involving the site ii nuclear hormone receptors.
Compositions and methods involving the site ii nuclear hormone receptors.
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机译:涉及II位核激素受体的组合物和方法。
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摘要
A method for evaluating the potential of a chemical entity to bind to Site II of a glucocorticoid receptor (GR) comprising: (a) docking a chemical entity into the cavity circumscribed by said GR Site II, wherein said GR site II is a structure defined by structure coordinates that describe the backbone atoms of the conserved residues having a standard deviation no greater than 2.0 Å relative to the main chain atoms of the conserved residues described by the structure coordinates of E537-V543, L566, G567, Q570-W577, S599-A607, W610, R611, R614, Q615, P625, Y663, L664 and K667 of GR amino acids as shown in Figure 2 according to Table I, Table IV or Table V; (B) analyze the complementarity of structural and chemical characteristics between said chemical entity and said GR Site II; and (c) screening the chemical entity in an in vitro assay that characterizes binding to said GR Site II, thereby identifying the chemical entity as a modulator.
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