alexa Benzimidazole-carboxamides as potent and bioavailable stearoyl-CoA desaturase (SCD1) inhibitors from ligand-based virtual screening and chemical optimization.
Chemistry

Chemistry

Medicinal Chemistry

Author(s): Matter H, Zoller G, Herling AW, SanchezArias JA, Philippo C,

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Abstract The discovery of potent benzimidazole stearoyl-CoA desaturase (SCD1) inhibitors by ligand-based virtual screening is described. ROCS 3D-searching gave a favorable chemical motif that was subsequently optimized to arrive at a chemical series of potent and promising SCD1 inhibitors. In particular, compound SAR224 was selected for further pharmacological profiling based on favorable in vitro data. After oral administration to male ZDF rats, this compound significantly decreased the serum fatty acid desaturation index, thus providing conclusive evidence for SCD1 inhibition in vivo by SAR224. Copyright © 2013 Elsevier Ltd. All rights reserved. This article was published in Bioorg Med Chem Lett and referenced in Medicinal Chemistry

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