| 阿片类药物透过血脑屏障的三维构效研究 |
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| 引用本文： | 朱七庆,屈凌波,郭宗儒.阿片类药物透过血脑屏障的三维构效研究[J].药学学报,1999,34(7):510-513. |
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| 作者姓名： | 朱七庆 屈凌波 郭宗儒 |
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| 作者单位： | 中国医学科学院、中国协和医科大学药物研究所,北京,100050 |
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| 摘 要： | 目的:建立药物透过血脑屏障的三维构效模型,为药物分子设计提供理论依据。方法与结果:利用比较分子力场分析方法建立了阿片类药物透过血脑屏障的三维定量构效模型,该模型有较高的预测能力,交叉验证系数r2cv=0.718,相关系数r2=0.978,F3,7=67.902,标准偏差SE=0.209。结论:根据CoMFA模型系数等势图,解释了该类药物透过血脑屏障的构效关系。
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| 关 键 词： | 血脑屏障 阿片类药物 比较分子力场分析 |
| 收稿时间： | 1998-10-06 |
STUDY ON 3D-QSAR OF OPIOIDS PASSING THROUGH BLOOD BRAIN BARRIER |
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| Zhu Qiqing,Qu Lingbo,Guo Zongru.STUDY ON 3D-QSAR OF OPIOIDS PASSING THROUGH BLOOD BRAIN BARRIER[J].Acta Pharmaceutica Sinica,1999,34(7):510-513. |
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| Authors: | Zhu Qiqing Qu Lingbo Guo Zongru |
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| Abstract: | AIM: To construct 3D QSAR models of drugs passing through the blood brain barrier (BBB), that provide a theoretical basis for molecular drug design. METHODS AND RESULTS: Using CoMFA method a 3D QSAR model of opioids passing through BBB. The model possesses a high predictability: cross validation r 2 cv of 0 718, conventional r 2 of 0 978, F=67 902, and SE(standard error)=0 209. CONCLUSION: Based on the contour map of the CoMFA model the structure permeability relationship of the opioids passing through BBB is well documented. |
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| Keywords: | blood brain barrier (BBB) opioids comparative molecular field analysis (CoMFA) |
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