2. Academic Validation
  3. Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase

Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase

  • Bioorg Med Chem Lett. 2008 Jun 1;18(11):3251-5. doi: 10.1016/j.bmcl.2008.04.043.
D A Cogan 1,  R Aungst,  E C Breinlinger,  T Fadra,  D R Goldberg,  M H Hao,  R Kroe,  N Moss,  C Pargellis,  K C Qian,  A D Swinamer
Affiliations

Affiliation

  • 1 Department of Medicinal Chemistry, Boehringer Ingelheim Pharmaceuticals, Inc., Research and Development Center, 900 Ridgebury Road, PO Box 368, Ridgefield, CT 06877, USA. derek.cogan@boehringer-ingelheim.com
PMID: 18462940 DOI: 10.1016/j.bmcl.2008.04.043
Abstract

A computer-aided drug design strategy leads to the identification of a new class of p38 inhibitors based on the 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) scaffold. The tolyl triazole amides provided a potent platform amenable to optimization. Further exploration leads to compounds with greater than 100-fold improvement in binding affinity to p38. Derivatives prepared to alter the physicochemical properties produced inhibitors with IC(50)'s in human whole blood as low as 83 nM.

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