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学科主题: 物理化学
题名: Promotional effect of colloidal alunima on the In HZSM-5 catalyst for the selective reduction of NO with methane
作者: Ren LL(任丽丽) ;  Zhang T(张涛) ;  Tang JW(唐军旺) ;  Zhao JF(赵金凤) ;  Li N(李宁) ;  Lin LW(林励吾)
会议名称: 3rd International Conference on Environmental Catalysis
会议日期: 2001-12-10
出版日期: 2001-12-10
会议地点: 日本
关键词: 待填写
其他题名: 铝胶对In HZSM-5催化剂在甲烷选择还原NO反应中催化活性的促进作用的研究
通讯作者: Tao Zhang
会议网址: 查看原文
收录类别: 待填写
合作性质: 待填写
ISSN: 待填写
ISBN: 待填写
部门归属: 十五室
产权排名: 待填写
主办者: International Confenence Center of Waseda University Shinjuku,Tokyo, Japan
摘要: Quinidine and quinine are the chiral isomers and CYP2D6 inhibitors. The stereochemistry difference results in the different inhibitory activity with quinidine being 2 orders of magnitude more potent than quinine. In this study, comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) methodologies were employed to investigate structure-activity relationship (3D-QSAR) among a set of quinidine and quinine analogues. The 3D-QSAR models using CoMFA analysis exhibited a q2 of 0.674, a r2 of 0.991, and a r2pred of 0.880, whereas CoMSIA analysis showed a q2 of 0.724, a r2 of 0.970 and a r2pred of 0.841. The derived contours clearly demonstrated the different structural requirement for a chiral isomer to bind CYP2D6. The docking method was further adopted to illustrate the distinguished binding mode of quinidine and quinine using FlexX package. The best ranking poses a suggestion that quindine binds with CYP2D6 tighter, therefore resulting in a higher CYP2D6 inhibition
英文摘要: 待填写
语种: 中文
内容类型: 会议论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/111144
Appears in Collections:中国科学院大连化学物理研究所_会议论文

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Recommended Citation:
Ren LL,Zhang T,Tang JW,et al. Promotional effect of colloidal alunima on the In HZSM-5 catalyst for the selective reduction of NO with methane[C]. 见:3rd International Conference on Environmental Catalysis. 日本. 2001-12-10.待填写.
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