与幼年型粒单细胞性白血病相关的SHP2突变体E76K、D61G选择性抑制剂的设计、合成及其活性研究

81773569
2017
H3401.合成药物化学
王润玲
面上项目
教授
天津医科大学
66万元
SHP2突变体;选择性抑制剂;幼年型粒单细胞性白血病;计算机辅助药物设计;白血病
2018-01-01到2021-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 Design, synthesis, biological evaluation, common feature pharmacophore model and molecular dynamics simulation studies of ethyl 4-(phenoxymethyl)-2-phenylthiazole-5-carboxylate as Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) inhibitors 期刊论文 Jingwei Wu;Weiya Li;Zhihui Zheng;Xinhua Lu;Huan Zhang;Ying Ma;Runling Wang
2 Investigating the reason for loss-of-function of Src homology 2 domain-containing protein tyrosine phosphatase 2 (SHP2) caused by Y279C mutation through molecular dynamics simulation 期刊论文 Wen-Shan Liu;Rui-Rui Wang;Wei-Ya Li;Mei Rong;Chi-Lu Liu;Ying Ma;Run-Ling Wang
3 Identification of protein tyrosine phosphatase 1B (PTP1B) inhibitors through De Novo Evoluton, synthesis, biological evaluation and molecular dynamics simulation 期刊论文 Jingwei Wu;Yangchun Ma;Hui Zhou;Liang Zhou;Shan Du;Yingzhan Sun;Weiya Li;Weili Dong;Runling Wang
4 Allosteric Inhibitors of SHP2: An Updated Patent Review (2015-2020) 期刊论文 Jingwei Wu;Huan Zhang;Guilong Zhao;Runling Wang
5 一类环烷基并噻吩并嘧啶酮化合物及其制法和用途 专利 王润玲;马英
6 Design, synthesis and biological evaluation of pyridine derivatives as selective SHP2 inhibitors 期刊论文 Wen-Shan Liu;Bing Yang;Rui-Rui Wang;Wei-Ya Li;Yang-Chun Ma;Liang Zhou;Shan Du;Ying Ma;Run-Ling Wang
7 Exploring the effect of aplidin on low molecular weight protein tyrosine phosphatase by molecular docking and molecular dynamic simulation study 期刊论文 Ying-Zhan Sun;Jing-Wei Wu;Xin-Hua Lu;Ying Ma;Run-Ling Wang
8 Design, synthesis, biological evaluation and molecular dynamics simulation studies of (R)-5-methylthiazolidin-4-One derivatives as megakaryocyte protein tyrosine phosphatase 2 (PTP-MEG2) inhibitors for the treatment of type 2 diabetes 期刊论文 Jingwei Wu;Yingzhan Sun;Hui Zhou;Ying Ma;Runling Wang
9 Probing the acting mode and advantages of RMC-4550 as an Src-homology 2 domain-containing protein tyrosine phosphatase (SHP2) inhibitor at molecular level through molecular docking and molecular dynamics 期刊论文 Rui-Rui Wang;Wen-Shan Liu;Liang Zhou;Ying Ma;Run-Ling Wang
10 Identification of the potential dual inhibitor of protein tyrosine phosphatase sigma and leukocyte common antigen-related phosphatase by virtual screen, molecular dynamic simulations and post-analysis 期刊论文 Liang Zhou;Yang-Chun Ma;Xue Tang;Wei-Ya Li;Ying Ma;Run-Ling Wang
11 Exploring the cause of the inhibitor 4AX attaching to binding site disrupting protein tyrosine phosphatase 4A1 trimerization by molecular dynamic simulation 期刊论文 Li Wei-Ya;Duan Yu-Qing;Ma Yang-Chun;Lu Xin-Hua;Ma Ying;Run-Ling Wang
12 Exploring the mechanism of the potent allosteric inhibitor compound2 on SHP2 WT and SHP2F285S by molecular dynamics study 期刊论文 Liang Zhou;Yong Feng;Yang-Chun Ma;Zhao Zhang;Jing-Wei Wu;Shan Du;Wei-Ya Li;Xin-Hua Lu;Ying Ma;Run-Ling Wang
13 Exploring the cause of the dual allosteric targeted inhibition attaching to allosteric sites enhancing SHP2 inhibition 期刊论文 Ma Yangchun;Yang WenYu;Zhou Liang;Li LiPeng;Wu JingWei;Li WeiYa;Du Shan;Ma Ying;Wang RunLing
14 一类含氮杂环衍生物及其制法和用途. 专利 王润玲;吴景卫;马英
15 Identification of potential leukocyte antigen-related protein (PTP-LAR) inhibitors through 3D QSAR pharmacophore-based virtual screening and molecular dynamics simulation 期刊论文 Shan Du;Bing Yang;Xin Wang;Wei-Ya Li;Xin-Hua Lu;Zhi-Hui Zheng;Ying Ma;Run-Ling Wang
16 Scaffold-based selective SHP2 inhibitors design using core hopping, molecular docking, biological evaluation and molecular simulation 期刊论文 Wei-Ya Li;Ying Ma;Hao-Xin Li;Xin-Hua Lu;Shan Du;Yang-Chun Ma;Liang Zhou;Run-Ling Wang
17 .一类2,5-二取代-3-氨基吡啶化合物及其制法和用途 专利 王润玲;马英;刘文山;王瑞瑞;吴景卫
18 Design, synthesis, biological evaluation and molecular dynamics simulation studies of imidazolidine-2,4-dione derivatives as novel PTP1B inhibitors 期刊论文 Yangchun Ma;Ting-Ting Ding;Ya-Ya Liu;Zhi-Hui Zheng;Su-Xia Sun;Li-Song Zhang;Hao Zhang;Xin-Hua Lu;Xian-Chao Cheng;Run-Ling Wang
19 Design, synthesis, biological evaluation and molecular dynamics of LAR inhibitors 期刊论文 Ying-Zhan Sun;Jing-Wei Wu;Shan Du;Yang-Chun Ma;Liang Zhou;Ying Ma;Run-Ling Wang
20 Design, synthesis, biological evaluation and molecular dynamics studies of 4-thiazolinone derivatives as protein tyrosine phosphatase 1B (PTP1B) inhibitors 期刊论文 Wen-Shan Liu;Rui-Rui Wang;Hai Yue;Zhi-Hui Zheng;Xin-Hua Lu;Shu-Qing Wang;Wei-Li Dong;Run-Ling Wang
21 Design potential selective inhibitors for human leukocyte common antigen-related (PTP-LAR) with fragment replace approach 期刊论文 Jing-Wei Wu;Huan Zhang;Wei-Ya Li;Xue Tang;Hong-Lian Li;Xin-Hua Lu;Zhi-Hui Zheng;Ying Ma;Run-Ling Wang
22 一类1,2,4-三氮唑衍生物及其制法和用途 专利 马英;王润玲;程先超;吴景卫;马仰春;李伟娅;杜珊;李立鹏;李浩鑫;周亮
23 Exploring the dynamic mechanism of allosteric drug SHP099 inhibiting SHP2E69K 期刊论文 Shan Du;Xin-hua Lu;Wei-Ya Li;Li-Peng Li;Yang-Chun Ma;Liang Zhou;Jing-Wei Wu;Ying Ma;Run-Ling Wang
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