药物设计与药物信息

81222046
2012
H3407.药物设计与药物信息
李洪林
优秀青年科学基金项目
教授
华东理工大学
100万元
药物发现;药物靶标识别;药物分子设计;药物化学;计算机模拟
2013-01至2015-12
  • 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 上海市“曙光计划” 奖励 傅维杰
2 Identification of diverse natural products as falcipain-2 inhibitors through structure-based virtual screening 期刊论文 Wang, Liyan|Zhang, Shoude|Zhu, Junsheng|Zhu, Lili|Liu, Xiaofeng|Shan, Lei|Huang, Jin|Zhang, Weidong|Li, Honglin|
3 Rational design of a highly selective fluorescent sensor for l-histidine detection in aqueous solution. 期刊论文 Yang, Yangyang|Wang, Xin|Xu, Yufang|Li, Honglin|
4 Antiproliferative and apoptosis-inducing activities of novel naphthalimide-cyclam conjugates through dual topoisomerase (topo) I/II inhibition. 期刊论文 Qian, Xuhong|Qian, Xuhong|Xu, Yufang|Xu, Yufang|
5 Triazole and Benzotriazole Derivatives as Novel Inhibitors for p90 Ribosomal S6 Protein Kinase 2: Synthesis, Molecular Docking and SAR Analysis 期刊论文 Jun Yuan;Ye Zhong;Shiliang Li;Xue Zhao;Guoqin Luan;Zhenjiang Zhao;Jin Huang();Honglin Li();Yufang Xu()
6 基于结合动力学的hDHODH抑制剂设计 会议论文 李诗良;白芳;李洪林
7 药物设计中的高性能计算High Performance Computingin Drug Design 会议论文 李洪林
8 Discoveryof pteridin-7(8H)-one-based Irreversible Inhibitors targeting Epidermal GrowthFactor Receptor (EGFR) Kinase T790M/L858R mutant 会议论文 李洪林
9 Are Topological Properties of Drug Targets Based on Protein-Protein Interaction Network Ready to Predict Potential Drug Targets? 期刊论文 Li Shiliang;Yu Xiaojuan;Zou Chuanxin;Gong Jiayu;Liu Xiaofeng();Li Honglin()
10 SimG: An Alignment Based Method for Evaluating the Similarity of Small Molecules and Binding Sites 期刊论文 Cai, Chaoqian|Gong, Jiayu|Liu, Xiaofeng|Gao, Daqi|Li, Honglin|
11 Novel Selective and Potent Inhibitors of Malaria Parasite Dihydroorotate Dehydrogenase: Discovery and Optimization of Dihydrothiophenone Derivatives 期刊论文 Xu Minghao;Zhu Junsheng;Diao Yanyan;Zhou Hongchang;Ren Xiaoli;Sun Deheng;Huang Jin;Han Dongmei;Zhao Zhenjiang;Zhu Lili();Xu Yufang();Li Honglin()
12 Predicting the Drug Safety for Traditional Chinese Medicine through a Comparative Analysis of Withdrawn Drugs Using Pharmacological Network 期刊论文 Xue, Mengzhu|Zhang, Shoude|Cai, Chaoqian|Yu, Xiaojuan|Shan, Lei|Liu, Xiaofeng|Zhang, Weidong|Li, Honglin|
13 Discovery of novel inhibitors for human farnesyltransferase (hFTase) via structure-based virtual screening 期刊论文 Yu, Xiaojuan|Zhao, Xue|Zhu, Lili|Zou, Chuanxin|Liu, Xiaofeng|Zhao, Zhenjiang|Huang, Jin|Li, Honglin|
14 Isoindole-1,3-dione Derivatives as RSK2 Inhibitors:Synthesis, Molecular Docking Simulation and SAR Analysis 期刊论文 Yufang Xu|Honglin Li|Jin Huang|Zhenjiang Zhao|
15 结合动力学药物设计方法 会议论文 白芳;蒋华良;李洪林
16 Isochamaejasmin induces apoptosis in leukemia cells through inhibiting Bcl-2 family proteins 期刊论文 Shou-De ZHANG;Lei SHAN;Wei LI;Hong-Lin LI;Wei-Dong ZHANG
17 第十六届明治生命科学奖 奖励 李洪林
18 iDrug: a web-accessible and interactive drug discovery and design platform. 期刊论文 Wang Xia;Chen Haipeng;Yang Feng;Gong Jiayu;Li Shiliang;Pei Jianfeng;Liu Xiaofeng;Jiang Hualiang;Lai Luhua;Li Honglin
19 上海市“五四”青年奖章 奖励 李洪林
20 Veratramine,a natural modulator of AP-1-dependent gene transcription via direct binding theprogrammable DNA 会议论文 李洪林
21 第十三届“挑战杯”全国大学生课外学术科技作品竞赛优秀指导教师 奖励 李洪林
22 Discovery of Pteridin-7(8H)-one-Based Irreversible Inhibitors Targeting the Epidermal Growth Factor Receptor (EGFR) Kinase T790M/L858R Mutant 期刊论文 Liu, Xiaofeng|Tu, Zhengchao|Zhang, Lianwen|Ku, Xin|Bai, Fang|Zhao, Zhenjiang|Xu, Yufang|Ding, Ke|Li, Honglin|
23 An accurate metalloprotein-specific scoring function and molecular docking program devised by a dynamic sampling and iteration optimization strategy 期刊论文 Fang Bai;Sha Liao;Junfeng Gu;Hualiang Jiang;Xicheng Wang;Honglin Li
24 中组部“万人计划”青年拔尖人才 奖励 邵旭升
25 Neuroprotection of (+)-2-(1-Hydroxyl-4-Oxocyclohexyl) Ethyl Caffeate Against Hydrogen Peroxide and Lipopolysaccharide Induced Injury via Modulating Arachidonic Acid Network and p38-MAPK Signaling 期刊论文 Shen Jiao-Ning;Xu Liu-Xin;Shan Lei;Zhang Wei-Dong;Li Hong-Lin();Wang Rui
26 Natural products as a gold mine for selective matrix metalloproteinases inhibitors 期刊论文 Liyan Wang;Xi Li;Shoude Zhang;Weiqiang Lu;Sha Liao;Xiaofeng Liu;Lei Shan;Xu Shen;Hualiang Jiang;Weidong Zhang;Jin Huang;Honglin Li
27 第十三届中国青年科技奖 奖励 彭万喜|
28 Molecular Similarity: Methods and Performance 期刊论文 Cai Chaoqian;Gong Jiayu;Liu Xiaofeng;Gao Daqi();Li Honglin()
29 A Rapid Python-Based Methodology for Target-Focused Combinatorial Library Design. 期刊论文 Liu, Xiaofeng|Liu, Xiaofeng|Li, Honglin|Li, Honglin|
30 Discovery of natural estrogen receptor modulators with structure-based virtual screening 期刊论文 Cao Xian-Wen;Jiang Jing;Zhang Shou-De;Zhu Li-Li;Zou Juan;Diao Yan-Yan;Xiao Wei-Lie;Shan Lei;Sun Han-Dong;Zhang Wei-Dong;Huang Jin;Li Hong-Lin
31 上海市科技启明星(跟踪) 奖励 刘永生|
32 Discovery of Diverse Human Dihydroorotate Dehydrogenase Inhibitors as Immunosuppressive Agents by Structure-Based Virtual Screening 期刊论文 Diao Yanyan;Lu Weiqiang;Jin Huangtao;Zhu Junsheng;Han Le;Xu Minghao;Gao Rui;Shen Xu;Zhao Zhenjiang;Liu Xiaofeng;Xu Yufang;Huang Jin;Li Honglin
33 Molecular Similarity: Methods and Performance 期刊论文 Cai Chaoqian;Gong Jiayu;Liu Xiaofeng;Gao Daqi();Li Honglin()
34 Rational Design of Benzylidenehydrazinyl-Substituted Thiazole Derivatives as Potent Inhibitors of Human Dihydroorotate Dehydrogenase with in Vivo Anti-arthritic Activity 期刊论文 Li Shiliang;Luan Guoqin;Ren Xiaoli;Song Wenlin;Xu Liuxin;Xu Minghao;Zhu Junsheng;Dong Dong;Diao Yanyan;Liu Xiaofeng;Zhu Lili;Wang Rui;Zhao Zhenjiang();Xu Yufang();Li Honglin()
35 Optimization of heterocyclic substituted benzenesulfonamides as novel carbonic anhydrase IX inhibitors and their structure activity relationship 期刊论文 Gao Rui;Liao Sha;Zhang Chen;Zhu Weilong;Wang Liyan;Huang Jin;Zhao Zhenjiang();Li Honglin;Qian Xuhong;Xu Yufang()
36 Design, synthesis and evaluation of PPAR gamma binding activity of 2-thioxo-4-thiazolidinone derivatives 期刊论文 Li Zhou;Ye Zhong;Meng-Zhu Xue;Dong Kuang;Xian-Wen Cao;Zhen-Jiang Zhao;Hong-Lin Li;Yu-Fang Xu;Rui Wang
37 Novel Selective and Potent Inhibitors of Malaria Parasite Dihydroorotate Dehydrogenase: Discovery and Optimization of Dihydrothiophenone Derivatives 期刊论文 Xu Minghao;Zhu Junsheng;Diao Yanyan;Zhou Hongchang;Ren Xiaoli;Sun Deheng;Huang Jin;Han Dongmei;Zhao Zhenjiang;Zhu Lili();Xu Yufang();Li Honglin()
38 PTID: an integrated web resource and computational tool for agrochemical discovery 期刊论文 Gong, Jiayu|Liu, Xiaofeng|Cao, Xianwen|Diao, Yanyan|Gao, Daqi|Li, Honglin|Qian, Xuhong|
39 Discovery of new potent inhibitors for carbonic anhydrase IX by structure-based virtual screening 期刊论文 Wang Liyan;Yang Chunmei;Lu Weiqiang;Liu Li;Gao Rui;Liao Sha;Zhao Zhenjiang;Zhu Lili;Xu Yufang;Li Honglin;Huang Jin;Zhu Weiping
40 Design, Synthesis, X-ray Crystallographic Analysis, and Biological Evaluation of Thiazole Derivatives as Potent and Selective Inhibitors of Human Dihydroorotate Dehydrogenase 期刊论文 Zhu Junsheng;Han Le;Diao Yanyan;Ren Xiaoli;Xu Minghao;Xu Liuxin;Li Shiliang;Li Qiang;Dong Dong;Huang Jin;Liu Xiaofeng;Zhao Zhenjiang;Wang Rui;Zhu Lili;Xu Yufang;Qian Xuhong();Li Honglin()
41 新型长效 DPP‐IV 抑制剂的发现 会议论文 李洪林
42 Discovery of non-peptide inhibitors of Plasmepsin II by structure-based virtual screening 期刊论文 Song Yuwei;Jin Huangtao;Liu Xiaofeng;Zhu Lili();Huang Jin();Li Honglin()
43 Systematic Analysis of the Multiple Bioactivities of Green Tea through a Network Pharmacology Approach 期刊论文 Shoude Zhang;Lei Shan;Qiao Li;Xia Wang;Shiliang Li;Yuan Zhang;Jianjun Fu;Xiaofeng Liu;Honglin Li;Weidong Zhang
44 霍英东教育基金会第十四届高等院校青年教师基金 奖励 王志刚
45 An improved sequence based prediction protocol for DNA-binding proteins using SVM and comprehensive feature analysis 期刊论文 Zou Chuanxin;Gong Jiayu;Li Honglin()
46 Substituted indolin-2-ones as p90 ribosomal S6 protein kinase 2 (RSK2) inhibitors: Molecular docking simulation and structure-activity relationship analysis 期刊论文 Zhong, Ye|Xue, Mengzhu|Zhao, Xue|Yuan, Jun|Liu, Xiaofeng|Huang, Jin|Zhao, Zhenjiang|Li, Honglin|Xu, Yufang|
47 ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method 期刊论文 Gong, Jiayu|Cai, Chaoqian|Liu, Xiaofeng|Ku, Xin|Jiang, Hualiang|Gao, Daqi|Li, Honglin|
48 Synthesis and biological evaluation of pentanedioic acid derivatives as farnesyltransferase inhibitors 期刊论文 Yang Liuqing;Liu Wei;Mei Hanbing;Zhang Yuan;Yu Xiaojuan;Xu Yufang;Li Honglin();Huang Jin();Zhao Zhenjiang()
49 ACS three-year membership 奖励 李洪林
50 Free energy landscape for the binding process of Huperzine A to acetylcholinesterase 期刊论文 Onuchic, Jose N.|Onuchic, Jose N.|Jiang, Hualiang|Jiang, Hualiang|
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