Structure-based design of a novel thiazolone scaffold as HCVNS5B polymerase allosteric inhibitors

被引：57

作者：

Yan, Shunqi ^{[1
]}

Appleby, Todd ^{[1
]}

Larson, Gary ^{[1
]}

Wu, Jim Z. ^{[1
]}

Hamatake, Robert ^{[1
]}

Hong, Zhi ^{[1
]}

Yao, Nanhua ^{[1
]}

机构：

[1] Valeant Pharmaceut Res & Dev, Costa Mesa, CA 92626 USA

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2006年 / 16卷 / 22期

关键词：

HCV; HCVNS5B polymerase; HCVNS5B inhibitors; thiazolone; HCVNS5B allosteric inhibitors;

D O I：

10.1016/j.bmcl.2006.08.056

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

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. (c) 2006 Elsevier Ltd. All rights reserved.

引用

页码：5888 / 5891

页数：4

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