Kathrin Lauenroth

University of Hamburg, Hamburg, Hamburg, Germany

Are you Kathrin Lauenroth?

Claim your profile

Publications (3)7.95 Total impact

  • Source
    [Show abstract] [Hide abstract]
    ABSTRACT: Kenpaullone derivatives with a modified parent ring system were synthesized in order to develop kinase inhibitors with enhanced selectivity. Among the novel structures, 1-azakenpaullone was found to act as a selective GSK-3beta versus CDK1 inhibitor. The charge distribution within the 1-azakenpaullone molecule is discussed as a possible explanation for the enhanced GSK-3beta selectivity of 1-azakenpaullone compared to other paullone derivatives.
    Bioorganic & Medicinal Chemistry Letters 02/2004; 14(2):413-6. · 2.34 Impact Factor
  • Source
    [Show abstract] [Hide abstract]
    ABSTRACT: With a view to the rational design of selective GSK-3beta inhibitors, 3D-QSAR CoMSIA models were developed for the inhibition of the three serine/threonine kinases CDK1/cyclin B, CDK5/p25, and GSK-3beta by compounds from the paullone inhibitor family. The models are based on the kinase inhibition data of 52 paullone entities, which were aligned by a docking routine into the ATP-binding cleft of a CDK1/cyclin B homology model. Variation of grid spacing and column filtering were used during the optimization of the models. The predictive ability of the models was shown by a leave-one-out cross-validation and the prediction of an independent set of test compounds, which were synthesized especially for this purpose. Besides paullones with the basic indolo[3,2-d][1]benzazepine core, the test set comprised novel thieno[3',2':2,3]azepino[4,5-b]indoles, pyrido[2',3':2,3]azepino[4,5-b]indoles, and a pyrido[3',2':4,5]pyrrolo[3,2-d][1]benzazepine. The best statistical values for the CoMSIA were obtained for the CDK1-models (r(2)() = 0.929 and q(2)() = 0.699), which were clearly superior to the models for CDK5 (r(2)() = 0.874 and q(2)() = 0.652) and GSK-3 (r(2)() = 0.871 and q(2)() = 0.554).
    Journal of Medicinal Chemistry 02/2004; 47(1):22-36. · 5.61 Impact Factor
  • Source
    [Show abstract] [Hide abstract]
    ABSTRACT: Kenpaullone derivatives with a modified parent ring system were synthesized in order to develop kinase inhibitors with enhanced selectivity. Among the novel structures, 1-azakenpaullone was found to act as a selective GSK-3β versus CDK1 inhibitor. The charge distribution within the 1-azakenpaullone molecule is discussed as a possible explanation for the enhanced GSK-3β selectivity of 1-azakenpaullone compared to other paullone derivatives.
    ChemInform 01/2004; 14(2):413-416.

Publication Stats

97 Citations
7.95 Total Impact Points

Institutions

  • 2004
    • University of Hamburg
      • Institute of Pharmacy
      Hamburg, Hamburg, Germany
    • Technische Universität Braunschweig
      • Institute of Medicinal and Pharmaceutical Chemistry
      Braunschweig, Lower Saxony, Germany