Patent ID: 7225083

Claim:
A method for identifying a compound that associates with at least a portion of an androgen receptor ligand binding domain (AR-LBD) and inhibits androgen receptor activity, said AR-LBD consisting of amino acids 13 through 258 of SEQ ID NO:1, the method comprising the steps of: (a) obtaining a crystallized complex of an androgen receptor ligand binding domain (AR-LBD) consisting of amino acids 13 through 258 of SEQ ID NO:1 complexed with dihydroxytestosterone, said crystal belonging to the space group P212121 and having the unit cell dimensions a=56.03 angstrom, b=66.27 angstrom, and c=70.38 angstrom; (b) obtaining the structural coordinates of the crystallized complex of step (a); (c) generating a three dimensional model of the androgen receptor ligand binding domain (AR-LBD) using the structural coordinates of the amino acids generated in step (b), ± a root mean square deviation from the backbone atoms of said amino acids of not more than 1.5 angstrom; (d) determining an active site of the androgen receptor ligand binding domain (AR-LBD) from said three dimensional model; (e) performing computer modeling analysis to identify said compound that associates with said androgen receptor ligand binding domain (AR-LBD); and (f) synthesizing said compound and contacting said compound with androgen receptor to determine the ability of said compound to inhibit androgen receptor activity.