1. Discovery and optimization of potent and selective functional antagonists of the human adenosine A2Breceptor

    Bioorganic & Medicinal Chemistry Letters 19(20):5945 (2009) PMID 19733067

    A novel class of antagonists of the human adenosine A 2B receptor is described. Offering interesting pharmacokinetic properties, these derivatives may prove useful in elucidating the role of adenosine A 2B receptors in a number of human disease conditions.
  2. Discovery and optimization of potent and selective functional antagonists of the human adenosine A2Breceptor

    Bioorganic & Medicinal Chemistry Letters 19(20):5945 (2009) PMID 19733067

    A novel class of antagonists of the human adenosine A 2B receptor is described. Offering interesting pharmacokinetic properties, these derivatives may prove useful in elucidating the role of adenosine A 2B receptors in a number of human disease conditions.
  3. Informatics and modeling challenges in fragment-based drug discovery.

    Current Opinion in Drug Discovery & Development 10(3):289 (2007) PMID 17554855

    This review summarizes recent developments in fragment-based drug-discovery methods with an emphasis on informatics and modeling requirements. Fragment-based methods have become established as a powerful approach in structure-based lead discovery. A number of successful projects have been announ...
  4. The SeeDs approach: integrating fragments into drug discovery.

    Current Topics in Medicinal Chemistry 7(16):1568 (2007) PMID 17979768

    Finding novel compounds as starting points for optimization is a major challenge in drug discovery research. Fragment-based methods have emerged in the past ten years as an effective way to sample chemical diversity with a limited number of low molecular weight compounds. The structures of the f...
  5. Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.

    Journal of Medicinal Chemistry 47(21):5085 (2004) PMID 15456252

    The binding of S100B to p53 down-regulates wild-type p53 tumor suppressor activity in cancer cells such as malignant melanoma, so a search for small molecules that bind S100B and prevent S100B-p53 complex formation was undertaken. Chemical databases were computationally searched for potential in...