designsynthesisandmoleculardockingstudyof67dioxo4arylaminocoumarin
文献类型：期刊论文
| 作者 | Wang AL(王爱玲)2; Tao B(陶波)2; Ai CZ(艾纯芝)3; Zheng XF(郑学仿)1 |
| 刊名 | chinesejournaloforganicchemistry
 |
| 出版日期 | 2015-01-01 |
| 卷号 | 35期号:4页码:843 |
| ISSN号 | 0253-2786 |
| 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. |
| 资助项目 | [National Natural Science Foundation of China] |
| 语种 | 英语 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/174096]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.大连大学 2.东北农业大学 3.中国科学院大连化学物理研究所 |
| 推荐引用方式 GB/T 7714 | Wang AL,Tao B,Ai CZ,et al. designsynthesisandmoleculardockingstudyof67dioxo4arylaminocoumarin[J]. chinesejournaloforganicchemistry,2015,35(4):843. |
| APA | 王爱玲,陶波,艾纯芝,&郑学仿.(2015).designsynthesisandmoleculardockingstudyof67dioxo4arylaminocoumarin.chinesejournaloforganicchemistry,35(4),843. |
| MLA | 王爱玲,et al."designsynthesisandmoleculardockingstudyof67dioxo4arylaminocoumarin".chinesejournaloforganicchemistry 35.4(2015):843. |
入库方式： OAI收割
来源：大连化学物理研究所
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