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  • Title: Design of quinolinedione-based geldanamycin analogues.
    Author: Hargreaves R, David CL, Whitesell L, Skibo EB.
    Journal: Bioorg Med Chem Lett; 2003 Sep 15; 13(18):3075-8. PubMed ID: 12941337.
    Abstract:
    Quinoline-5,8-dione-based compounds were designed from the structure of the geldanamycin-bound Hsp-90 active site. The active site model predicted that aromatic substituents should be present at the 2-position, to take advantage of a hydrophobic pocket, and amino substituents should be present at the 6- or 7-position. COMPARE analysis revealed that the LC(50) profile of 2-phenyl-6-(2-chloroethylamino)quinoline-5,8-dione has the highest geldanamycin-like activity (0.74 correlation coefficient).
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