Advanced search×

Structure-based parallel medicinal chemistry approach to improve metabolic stability of benzopyran COX-2 inhibitors

Li Xing, Bruce C Hamper, Theresa R Fletcher, Jay M Wendling, Jeffery Carter, James K Gierse, and Subo Liao

Bioorg Med Chem Lett 21(3):4 (2011) PMID 21215625

Combination of the structure-based design and solid-phase parallel synthesis provided an integrated approach to rapidly develop the structure-activity relationship of benzopyran COX-2 inhibitors. Binding free energies predicted by free energy perturbation theory yielded good agreement with experimental results. New potent and selective lead compounds with improved metabolic properties were identified.

DOI: 10.1016/j.bmcl.2010.12.023
Version: za2963e q8za3 q8zbd q8zc6 q8zd4 q8zef q8zfa q8zgc
Buy PDF

Similar articles you may find interesting…

  1. Apoptosis Mechanisms Related to the Increased Sensitivity of Jurkat T-cells versus A431 Epidermoid Cells to Photodynamic Therapy with the Ph...
    Malcolm S Ke, Liang-Yan Xue, ... Seth R Stevens

    Photochem Photobiol 84(3):819 (2008) PMID 18363617

    Buy PDF
  2. In vivo remodeling: breakout session summary.
    Stephen F SF Badylak, Markus M Grompe, ... Doris A DA Taylor

    Ann N Y Acad Sci (2002) PMID 12081929

    Buy PDF
  3. Sustained Wnt protein expression in chondral constructs from mesenchymal stem cells.
    Katsuhiro Nishioka, James E Dennis, ... Arnold I Caplan

    J Cell Physiol 203(1):6-14 (2005) PMID 15389636

    We have analysed the spatiotemporal expression patterns of Wnt using in vitro models for chondrogenesis of human bone marrow-derived mesenchymal stem cells (hMSCs). In chondrogenic aggregate culture system, RT-PCR analysis revealed expression of Wnt5a and Wnt4 during late chondrogenesis (days 10 and...
    Buy PDF