Publication Abstract from PubMed
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.
Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors.,Yan S, Appleby T, Larson G, Wu JZ, Hamatake R, Hong Z, Yao N Bioorg Med Chem Lett. 2006 Nov 15;16(22):5888-91. Epub 2006 Aug 24. PMID:16934455[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
