Structure-Activity Relationships and Anti-inflammatory Activities of N-Carbamothioylformamide Analogues as MIF Tautomerase Inhibitors
文献类型：期刊论文
| 作者 | Zhang, Yu2,3; Xu, Lei4,5; Zhang, Zhiqiang2,3; Zhang, Zhiyu2,3; Zheng, Longtai2,3; Li, Dan4; Li, Youyong1; Liu, Feng2,3; Yu, Kunqian6 ; Hou, Tingjun1,2,3,4
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| 刊名 | JOURNAL OF CHEMICAL INFORMATION AND MODELING
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| 出版日期 | 2015-09 |
| 卷号 | 55期号:9页码:1994-2004 |
| ISSN号 | 1549-9596 |
| DOI | 10.1021/acs.jcim.5b00445 |
| 文献子类 | Article |
| 英文摘要 | Macrophage migration inhibitory factor (MIF), a proinflammatory cytokine, is an attractive therapeutic target for the treatment of inflammatory diseases. In our previous study, 3-[(biphenyl-4-ylcarbonyl)carbamothioyl] amino benzoic acid (compound 1) was discovered as a potent inhibitor of MIF by docking-based virtual screening and bioassays. Here, a series of analogues of compound 1 derived from similarity search and chemical synthesis were evaluated for their MIF tautomerase activities, and their structure activity relationships were then analyzed. The most potent inhibitor (compound 5) with an IC50 of 370 nM strongly suppressed lipopolysaccharide (LPS)-induced production of TNF-alpha and IL-6 in a dose-dependent manner and significantly enhanced the survival rate of mice with LPS-induced endotoxic shock from 0 to 35% at 0.5 mg/kg and to 45% at 1 mg/kg, highlighting the therapeutic potential of the MIF tautomerase inhibition in inflammatory diseases. |
| WOS关键词 | TRADITIONAL CHINESE MEDICINES ; DRUG-LIKENESS ANALYSIS ; PHENYLPYRUVATE TAUTOMERASE ; INFLAMMATORY RESPONSE ; POTENT INHIBITORS ; CRYSTAL-STRUCTURE ; SEVERE SEPSIS ; NITRIC-OXIDE ; DISCOVERY ; AGENTS |
| 资助项目 | National Science Foundation of China[21173156] ; National Science Foundation of China[81130023] ; National Science Foundation of China[81373382] ; National Science Foundation of China[81372688] ; National Science Foundation of China[21302134] ; National Basic Research Program of China (973 program)[2012CB932600] ; National Basic Research Program of China (973 program)[2011CB5C4403] ; Priority Academic Program Development of Jiangsu Higher Education Institutes (PAPD) - China Postdoctoral Science Foundation[00000000] ; Jiangsu Science and Technology Commission[BY2011131] |
| WOS研究方向 | Pharmacology & Pharmacy ; Chemistry ; Computer Science |
| 语种 | 英语 |
| WOS记录号 | WOS:000362056900019 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/276405]  |
| 专题 | 药物发现与设计中心 中科院受体结构与功能重点实验室 新药研究国家重点实验室 |
| 通讯作者 | Hou, Tingjun |
| 作者单位 | 1.Soochow Univ, Inst Funct Nano & Soft Mat FUNSOM, Suzhou 215123, Jiangsu, Peoples R China; 2.Soochow Univ, Coll Pharmaceut Sci, Jiangsu Key Lab Translat Res & Therapy Neuropsych, Suzhou 215123, Jiangsu, Peoples R China; 3.Soochow Univ, Coll Pharmaceut Sci, Dept Pharmacol, Suzhou 215123, Jiangsu, Peoples R China; 4.Zhejiang Univ, Coll Pharmaceut Sci, Hangzhou 310058, Zhejiang, Peoples R China; 5.Jiangsu Univ Technol, Sch Elect & Informat Engn, Inst Bioinformat & Med Engn, Changzhou 213001, Peoples R China; 6.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Shanghai 200031, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Yu,Xu, Lei,Zhang, Zhiqiang,et al. Structure-Activity Relationships and Anti-inflammatory Activities of N-Carbamothioylformamide Analogues as MIF Tautomerase Inhibitors[J]. JOURNAL OF CHEMICAL INFORMATION AND MODELING,2015,55(9):1994-2004. |
| APA | Zhang, Yu.,Xu, Lei.,Zhang, Zhiqiang.,Zhang, Zhiyu.,Zheng, Longtai.,...&Zhen, Xuechu.(2015).Structure-Activity Relationships and Anti-inflammatory Activities of N-Carbamothioylformamide Analogues as MIF Tautomerase Inhibitors.JOURNAL OF CHEMICAL INFORMATION AND MODELING,55(9),1994-2004. |
| MLA | Zhang, Yu,et al."Structure-Activity Relationships and Anti-inflammatory Activities of N-Carbamothioylformamide Analogues as MIF Tautomerase Inhibitors".JOURNAL OF CHEMICAL INFORMATION AND MODELING 55.9(2015):1994-2004. |
入库方式： OAI收割
来源：上海药物研究所
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