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题名: Design, Synthesis and Molecular Docking Study of 6,7-Dioxo-4-aryl-aminocoumarin
作者: Wang Ailing1, 2;  Tao Bo1;  Ai Chunzhi3;  Zheng Xuefeng2
关键词: coumarin ;  COMT inhibitor ;  L-dopa ;  SAR ;  Parkinson's disease
刊名: CHINESE JOURNAL OF ORGANIC CHEMISTRY
发表日期: 2015-04-01
DOI: 10.6023/cjoc201411004
卷: 35, 期:4, 页:843-850
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Organic
研究领域[WOS]: Chemistry
英文摘要: Catechol-O-methyltransferase (COMT) inhibitors play an important role in the treatment of Parkinson's disease (PD). On the basis of the structure-activity relation (SAR) analysis of existing COMT inhibitors, entacapone and tolcapone, it has been derived that coumarin compounds containing catechol structures may have inhibitory bioactivities on COMT. Thus, the novel COMT inhibitors, 6,7-dioxo-4-arylaminocoumarin compounds, were designed, and their inhibitory bioactivities on COMT were investigated by theoretical calculation. The results show that ten 6,7-dioxo-4-aryl-aminocoumarin compounds exhibit good docking effect, especially 6,7-bis(2-methoxyethoxy)-4-phenylamino-2H-chromen-2-one (6b4) and 4-(3-ethynylphenyl)amino-6,7-bis(2-methoxyethoxy)-2H-chromen-2-one (6b5) which have the structure of catechol protected by methoxy ethyl group.
关键词[WOS]: CATECHOL-O-METHYLTRANSFERASE ;  BIOLOGICAL EVALUATION ;  INHIBITORS ;  PHARMACOKINETICS ;  DERIVATIVES ;  OPICAPONE ;  LEVODOPA ;  DISEASE
语种: 英语
WOS记录号: WOS:000355964200010
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/146306
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Northeast Agr Univ, Coll Agron, Harbin 150030, Peoples R China
2.Dalian Univ, Liaoning Key Lab Bioorgan Chem, Dalian 116622, Peoples R China
3.Chinese Acad Sci, Dalian Inst Chem Phys, Lab Pharmaceut Resource Discovery, Dalian 116023, Peoples R China

Recommended Citation:
Wang Ailing,Tao Bo,Ai Chunzhi,et al. Design, Synthesis and Molecular Docking Study of 6,7-Dioxo-4-aryl-aminocoumarin[J]. CHINESE JOURNAL OF ORGANIC CHEMISTRY,2015,35(4):843-850.
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