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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
KeywordCoumarin Comt Inhibitor L-dopa Sar Parkinson's Disease
Source PublicationCHINESE JOURNAL OF ORGANIC CHEMISTRY
2015-04-01
DOI10.6023/cjoc201411004
Volume35Issue:4Pages:843-850
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Organic
WOS Research AreaChemistry
WOS KeywordCATECHOL-O-METHYLTRANSFERASE ; BIOLOGICAL EVALUATION ; INHIBITORS ; PHARMACOKINETICS ; DERIVATIVES ; OPICAPONE ; LEVODOPA ; DISEASE
AbstractCatechol-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.
Language英语
WOS IDWOS:000355964200010
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/146306
Collection中国科学院大连化学物理研究所
Affiliation1.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
GB/T 7714
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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