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Design, Synthesis and Molecular Docking Study of 6,7-Dioxo-4-aryl-aminocoumarin
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
2015-04-01
DOI10.6023/cjoc201411004
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
关键词[WOS]CATECHOL-O-METHYLTRANSFERASE ; BIOLOGICAL EVALUATION ; INHIBITORS ; PHARMACOKINETICS ; DERIVATIVES ; OPICAPONE ; LEVODOPA ; DISEASE
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.
语种英语
WOS记录号WOS:000355964200010
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/146306
专题中国科学院大连化学物理研究所
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
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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.
APA Wang Ailing,Tao Bo,Ai Chunzhi,&Zheng Xuefeng.(2015).Design, Synthesis and Molecular Docking Study of 6,7-Dioxo-4-aryl-aminocoumarin.CHINESE JOURNAL OF ORGANIC CHEMISTRY,35(4),843-850.
MLA Wang Ailing,et al."Design, Synthesis and Molecular Docking Study of 6,7-Dioxo-4-aryl-aminocoumarin".CHINESE JOURNAL OF ORGANIC CHEMISTRY 35.4(2015):843-850.
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