基于结构的药物设计发现丝裂原活化蛋白激酶相互作用激酶 1 和 2（MNK1/2）的选择性和高效抑制剂。
Discovery of a Selective and Potent Inhibitor of Mitogen-Activated Protein Kinase-Interacting Kinases 1 and 2 (MNK1/2) Utilizing Structure-Based Drug Design.
机构信息
Global Discovery Chemistry, Novartis Institutes for BioMedical Research , 4560 Horton Street, Emeryville, California 94608, United States.
Oncology, Novartis Institutes for BioMedical Research , 4560 Horton Street, Emeryville, California 94608, United States.
出版信息
J Med Chem. 2016 Apr 14;59(7):3034-45. doi: 10.1021/acs.jmedchem.5b01657. Epub 2016 Mar 29.
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.
本文描述了一种高效且选择性的小分子抑制剂 9 的发现，该抑制剂可用于 MNK1/2 激酶的体外靶标验证。该氨基吡嗪苯并咪唑系列源自高内涵筛选命中化合物，并通过利用对接模型、构象分析和与抗靶标进行结合口袋比较进行了优化。
Zotero 插件