Utility of boron clusters for drug design. Hansch-fujita hydrophobic parameters pi of dicarba-closo-dodecaboranyl groups.

Yamamoto K; Endo Y

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Utility of boron clusters for drug design. Hansch-fujita hydrophobic parameters pi of dicarba-closo-dodecaboranyl groups.

机译：硼簇在药物设计中的效用。 Dicarba-closo-十二硼烷基的Hansch-fujita疏水参数pi。

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The spherical boron clusters, dicarba-closo-dodecaboranes (carboranes) are new hydrophobic pharmacophores, which interact hydrophobically with receptors. We have experimentally measured the partition coefficients log P for carboranylphenols employing an HPLC method, and determined the Hansch-Fujita hydrophobic parameters pi of various carboranyl groups. The values (pi=2.69-4.44) vary depending on the position of substitution on the carborane cage and the isomeric form (o-, m-, p-carboranes). These values lie within the range of those of hydrocarbons.

机译：球形硼团簇，双氨基甲酰-十二-十二碳硼烷（碳氢化合物）是新的疏水性药效团，其与受体进行疏水性相互作用。我们已经通过HPLC方法实验测量了碳硼烷基苯酚的分配系数log P，并确定了各个碳硼烷基的Hansch-Fujita疏水参数pi。值（pi ＝ 2.69-4.44）根据碳硼烷笼上的取代位置和异构形式（邻，间，对-碳硼烷）而变化。这些值在烃的范围内。

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《Bioorganic and Medicinal Chemistry Letters》 |2001年第17期|共4页
作者
Yamamoto K; Endo Y;
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正文语种 eng
中图分类药学;生物化学;
关键词
Boron; Parameters; Pulmonary Valve Insufficiency; Groups; 硼; 肺动脉瓣闭锁不全;

机译：Boron;Parameters;Pulmonary Valve Insufficiency;Groups;硼;肺动脉瓣闭锁不全;

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1. Utility of boron clusters for drug design. Hansch-fujita hydrophobic parameters pi of dicarba-closo-dodecaboranyl groups. [J] . Yamamoto K, Endo Y Bioorganic and Medicinal Chemistry Letters . 2001,第17期

机译：硼簇在药物设计中的效用。 Dicarba-closo-十二硼烷基的Hansch-fujita疏水参数pi。
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3. Identification of Novel HSP90α/β Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease [J] . Justin T. Ernst, Timothy Neubert, Michael Liu, Journal of Medicinal Chemistry . 2014,第8期

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5. Developments in structure-based theoretical modeling of hydrophobicity for computer-aided drug design. [D] . Du, Qishi. 1995

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6. Data on peptidyl platform-based anticancer drug synthesis and triton-x-based micellar clusters (MCs) self-assembly peculiarities for enhanced solubilization encapsulation of hydrophobic compounds and their interaction with HeLa cells [O] . Alexey V. Solomonov, Yuriy S. Marfin, Evgeniy V. Rumyantsev, 2019

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7. Hydrophobicity of oligopeptides in terms of component amino acid parameters - Application to drug design. [O] . Miki AKAMATSU, Toshio FUJITA 1989

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Utility of boron clusters for drug design. Hansch-fujita hydrophobic parameters pi of dicarba-closo-dodecaboranyl groups.

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