Identification, Synthesis, and Evaluation of New Neuraminidase Inhibitors

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• 作者：Vathan Kumar ; Chih-Kang Chang ; Kian-Pin Tan ; Young-Sik Jung ; Shih-Hsun Chen ; Yih-Shyun E. Cheng ; Po-Huang Liang
• 刊名：Organic Letters
• 出版年：2014
• 出版时间：October 3, 2014
• 年：2014
• 卷：16
• 期：19
• 页码：5060-5063
• 全文大小：234K
• ISSN：1523-7052

文摘

High-throughput screening was performed on 鈭?800 compounds to identify KR-72039 as an inhibitor of H1N1 and H5N1 neuraminidases (NAs). Structure鈥揳ctivity relationship studies led to 3e, which inhibited H5N1 NA with an IC₅₀ of 2.8 渭M and blocked viral replication. Docking analysis shows that compounds bind to loop-430 around the NA active site. Compound 3l additionally inhibited H7N9 NA, making it a dual inhibitor of N1- and N2-type NAs.