文献类型：期刊文献

英文题名：Substituted indolin-2-ones as p90 ribosomal S6 protein kinase 2 (RSK2) inhibitors: Molecular docking simulation and structure-activity relationship analysis

作者：Zhong, Ye[1];Xue, Mengzhu[1];Zhao, Xue[1];Yuan, Jun[1];Liu, Xiaofeng[1];Huang, Jin[1];Zhao, Zhenjiang[1];Li, Honglin[1];Xu, Yufang[1]

机构：[1]E China Univ Sci & Technol, Shanghai Key Lab New Drug Design, Sch Pharm, State Key Lab Bioreactor Engn, Shanghai 200237, Peoples R China

年份：2013

卷号：21

期号：7

起止页码：1724

外文期刊名：BIOORGANIC & MEDICINAL CHEMISTRY

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000316770300013)】；

基金：This work was supported by the Fundamental Research Funds for the Central Universities, the National Natural Science Foundation of China (Grants 21173076, 81102375, 10979072, 81230090, 81222046 and 81230076), the Special Fund for Major State Basic Research Project (Grant 2009CB918501), the Shanghai Committee of Science and Technology (Grants 09dZ1975700, 11DZ2260600 and 10431902600), the 863 Hi-Tech Program of China (Grant 2012AA020308) and the National S&T Major Project of China (Grant 2011ZX09307-002-03). Honglin Li is also sponsored by Program for New Century Excellent Talents in University (Grant NCET-10-0378).

语种：英文

外文关键词：RSK2; Kinase inhibitor; Molecular docking

摘要：A series of novel indolin-2-ones inhibitors against p90 ribosomal S6 protein kinase 2 (RSK2) were designed and synthesized and their structure-activity relationship (SAR) was studied. The most potent inhibitor, compound 3s, exhibited potent inhibition against RSK2 with an IC50 value of 0.5 mu M and presented a satisfactory selectivity against 23 kinases. The interactions of these inhibitors with RSK2 were investigated based on the proposed binding poses with molecular, docking simulation. Four compounds and six compounds exhibited moderate anti-proliferation activities against PC 3 cells and MCF-7 cells, respectively. (C) 2013 Elsevier Ltd. All rights reserved.