| 基于理论线性溶剂化能关系研究两类局部麻醉药物的疏水性质 |
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| 引用本文： | 邹建卫,李江波,俞庆森,林瑞森. 基于理论线性溶剂化能关系研究两类局部麻醉药物的疏水性质[J]. 计算机与应用化学, 2000, 0(Z1) |
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| 作者姓名： | 邹建卫 李江波 俞庆森 林瑞森 |
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| 作者单位： | 浙江大学化学系!杭州310027 |
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| 摘 要： | 用理论线性溶剂化能关系建立了两类局部麻醉药物 (咪唑烷二酮类和苄醇类 )的结构—疏水性关系。结果表明 :分子的体积越大 ,两类化合物的亲脂性越强。另外 ,对咪唑烷二酮而言 ,分子的氢键碱度与其LogP值呈负相关 ,而苄醇类化合物的氢键酸度越大 ,对亲脂性越有利。
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| 关 键 词： | 线性溶剂化能相关 疏水性质 局部麻醉药物 |
A Quantitative Structure-Hydrophobic Property Relationship Study for Two Local Anesthetics Based on TLSER method |
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| ZHOU Jian|Wei LI Jiang|Bo YU Qing|Sen LIN Rui|Sen. A Quantitative Structure-Hydrophobic Property Relationship Study for Two Local Anesthetics Based on TLSER method[J]. Computers and Applied Chemistry, 2000, 0(Z1) |
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| Authors: | ZHOU Jian|Wei LI Jiang|Bo YU Qing|Sen LIN Rui|Sen |
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| Abstract: | The structure|hydrophobic property relationship for two local anesthetics has been investi|gated by using theoretical linear solvation energy relationship(TLSER) model. The QSPR equations obtained through MLR analysis show that increasing the molecular volume is favor of the logP for both local anesthetics. For a series of imidazolidinediones, decreasing the hydrogen|bond basicity would increase the lipophilicity of the compound, while for the substituted benzyl alcohols, increasing the hydrogen|bond acidity is fovor of the logP value of the compound. |
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| Keywords: | Linear Solvation Energy Relationship(LSER) Hydrophobic property Local anesthetic |
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