Determination of partition and binding properties of solutes to stratum corneum
Determination of partition and binding properties of solutes to stratum corneum
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DOI：
10.1016/j.ijpharm.2010.07.035
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发表时间：
2010-10-15
影响因子：
5.8
通讯作者：
Han, Lujia
中科院分区：
文献类型：
--
作者：
Wang, Liming;Chen, Longjian;Han, Lujia
通过平衡实验测定了一些相对亲水性溶质与天然和脱脂角质层（SC）的结合特性及其对提取的脂质的分配系数，以扩展目前主要由疏水性溶质组成的数据库。使用扩展的数据库，定量结构性质关系（QSPR）已被提出用于预测疏水性和亲水性溶质的SC蛋白和脂质的分配和结合系数。溶质分配至SC脂质的最佳拟合公式为PClip/w = K-ow（0.69），溶质与SC蛋白的结合最佳描述公式为PCpro/w = 4.2K（ow）（0.31）。将溶质分配至SC脂质和结合至SC蛋白的两个QSPR模型进一步组合成两相模型，以预测溶质至角质层的总体分配系数（K-sc/w）。我们的研究不仅扩展了SC的溶质分配和结合性质的数据库，以包括亲水性溶质，而且还表明，通过将QSPR模型与SC的多相和非均相结构相结合，可以以良好的精度拟合SC分配和结合的热力学平衡性质。（C）2010 Elsevier B. V.版权所有。
The binding property of a number of relatively hydrophilic solutes to native and delipidized stratum corneum (SC) and their partition coefficients to extracted lipid have been measured by equilibration experiments to expand the current database which consisted of mostly hydrophobic solutes. Using the extended database, quantitative structure property relationships (QSPR) have been proposed for predicting the partition and binding coefficients of both hydrophobic and hydrophilic solutes to the SC protein, and lipid. Solute partition to the SC lipid is best fitted by PClip/w = K-ow(0.69) and solute binding to the SC protein is best described by PCpro/w = 4.2K(ow)(0.31). The two QSPR models of solute partition to the SC lipid and binding to the SC protein have been further combined into a two-phase model to predict the overall partition coefficient of solutes to the stratum corneum (K-sc/w). Our study not only extends the database of solute partition and binding properties of the SC to include hydrophilic solutes, but also demonstrates that the thermodynamic equilibrium properties of the SC partition and binding can be fitted with good accuracy by combining QSPR models with the multiphase and heterogeneous structures of the SC. (C) 2010 Elsevier B.V. All rights reserved.