喹喔啉类作为新型丙型肝炎病毒NS5B RNA依赖性RNA聚合酶抑制剂的构效关系（SAR）研究
Structure-activity relationship (SAR) studies of quinoxalines as novel HCV NS5B RNA-dependent RNA polymerase inhibitors.
作者信息
Rong Frank, Chow Suetying, Yan Shunqi, Larson Gary, Hong Zhi, Wu Jim
机构信息
Drug Discovery, Valeant Pharmaceutical Research & Development, 3300 Hyland Avenue, Costa Mesa, CA 92626, USA.
出版信息
Bioorg Med Chem Lett. 2007 Mar 15;17(6):1663-6. doi: 10.1016/j.bmcl.2006.12.103. Epub 2007 Jan 8.
From chemical compound library screening using an HCV NS5B RNA-dependent RNA polymerase enzymatic assay, we identified a substituted quinoxaline hit with an IC(50) of 5.5 microM. A series of substituted quinoxaline amide derivatives were synthesized based on the hit's pharmacophore, and a good structure-activity relationship was observed. Computer modeling analysis was employed to help comprehend the SAR.
通过使用丙型肝炎病毒NS5B RNA依赖性RNA聚合酶酶促测定法对化合物库进行筛选，我们鉴定出一种IC(50)为5.5微摩尔的取代喹喔啉命中物。基于该命中物的药效团合成了一系列取代喹喔啉酰胺衍生物，并观察到良好的构效关系。采用计算机建模分析来帮助理解构效关系。
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