Design and synthesis of an array of selective androgen receptor modulators.

We describe the design, using shape comparison and fast docking computer algorithms, and rapid parallel synthesis of a 1300 member array based on GSK7721, a 4-aminobenzonitrile androgen receptor (AR) antagonist identified by focused screening of the GSK compound collection. The array yielded 352 submicromolar and 17 subnanomolar AR agonists as measured by a cell-based reporter gene functional assay. The rapid synthesis of a large number of active compounds provided valuable information in the optimization of AR modulators, which may be useful in treating androgen deficiency in aging males.

Citation

Ryan P Trump, Jean-Baptiste E Blanc, Eugene L Stewart, Peter J Brown, Matilde Caivano, David W Gray, William J Hoekstra, Timothy M Willson, Bajin Han, Philip Turnbull. Design and synthesis of an array of selective androgen receptor modulators. Journal of combinatorial chemistry. 2007 Jan-Feb;9(1):107-14

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PMID: 17206838

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