Discovery of a Selective and Potent Inhibitor of Mitogen-Activated Protein Kinase-Interacting Kinases 1 and 2 (MNK1/2) Utilizing Structure-Based Drug Design

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• 作者：Wooseok Han ; Yu Ding ; Yongjin Xu ; Keith Pfister ; Shejin Zhu ; Bob Warne ; Mike Doyle ; Mina Aikawa ; Payman Amiri ; Brent Appleton ; Darrin D. Stuart ; Abdallah Fanidi ; Cynthia M. Shafer
• 刊名：Journal of Medicinal Chemistry
• 出版年：2016
• 出版时间：April 14, 2016
• 年：2016
• 卷：59
• 期：7
• 页码：3034-3045
• 全文大小：574K
• 年卷期：0
• ISSN：1520-4804

文摘

The discovery of a highly potent and selective small molecule inhibitor 9 for in vitro target validation of MNK1/2 kinases is described. The aminopyrazine benzimidazole series was derived from an HTS hit and optimized by utilization of a docking model, conformation analysis, and binding pocket comparison against antitargets.