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Discovery of novel low molecular weight inhibitors of IMPDH via virtual needle screening. | LitMetric
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Discovery of novel low molecular weight inhibitors of IMPDH via virtual needle screening.

Stephen D Pickett Bradley S Sherborne Trevor Wilkinson James Bennett Neera Borkakoti Michael Broadhurst David Hurst Ian Kilford Murray McKinnell Philip S Jones

Bioorg Med Chem Lett

Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK.

Published: May 2003

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.

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 Source
http://dx.doi.org/10.1016/s0960-894x(03)00237-3DOI Listing

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