Author/Authors :
Stephen D. Pickett، نويسنده , , Bradley S. Sherborne، نويسنده , , Trevor Wilkinson، نويسنده , , James Bennett، نويسنده , , Neera Borkakoti، نويسنده , , Michael Broadhurst، نويسنده , , David Hurst، نويسنده , , Ian Kilford، نويسنده , , Murray McKinnell، نويسنده , , Philip S. Jones، نويسنده ,
Abstract :
Novel, low molecular weight inhibitors of IMPDH have been discovered through the application of a validated virtual screening protocol. A series of 21 IMPDH inhibitors were used to validate the docking procedure. Application of this procedure to the selection of compounds for screening from an in-house database resulted in a 50-fold reduction in the size of the screening set (3425 to 74 compounds) and gave a hit-rate of 10% on biological evaluation.
