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Bioorg Med Chem Lett. 2006 Nov 15;16(22):5888-91. Epub 2006 Aug 24.

Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors.

Author information

1
Valeant Pharmaceuticals Research and Development, 3300 Hyland Ave. Costa Mesa, CA 92626, USA. syan@valeant.com

Abstract

A structure-based approach was performed to design a novel thiazolone scaffold as HCV NS5B inhibitors. A focused library was designed and docked by GOLD. One of the top-scored molecules was synthesized and shown to have similar potency to the initial hit. The X-ray complex structure was determined and validated our design rationale.

PMID:
16934455
DOI:
10.1016/j.bmcl.2006.08.056
[Indexed for MEDLINE]
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