新型噻唑酮类化合物作为丙型肝炎病毒NS5B聚合酶变构抑制剂：进一步设计、构效关系及X射线复合物结构
Novel thiazolones as HCV NS5B polymerase allosteric inhibitors: Further designs, SAR, and X-ray complex structure.
作者信息
Yan Shunqi, Larson Gary, Wu Jim Z, Appleby Todd, Ding Yili, Hamatake Robert, Hong Zhi, Yao Nanhua
机构信息
Valeant Pharmaceuticals Research and Development, 3300 Hyland Ave., Costa Mesa, CA 92626, USA.
出版信息
Bioorg Med Chem Lett. 2007 Jan 1;17(1):63-7. doi: 10.1016/j.bmcl.2006.09.095. Epub 2006 Oct 4.
PMID:17049849
Abstract
Structure-activity relationships (SAR) of 1 against HCV NS5B polymerase were described. SAR explorations and further structure-based design led to the identifications of 2 and 3 as novel HCV NS5B inhibitors. X-ray structure of 3 in complex with NS5B polymerase was obtained at a resolution of 2.2A, and confirmed the design.
摘要
描述了化合物1对丙型肝炎病毒NS5B聚合酶的构效关系（SAR）。通过构效关系探索和进一步基于结构的设计，确定了化合物2和3为新型丙型肝炎病毒NS5B抑制剂。获得了化合物3与NS5B聚合酶复合物的X射线晶体结构，分辨率为2.2埃，并证实了该设计。
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