Quantitative structure-permeability relationships for percutaneous absorption: re-analysis of steroid data
Quantitative structure-permeability relationships for percutaneous absorption: re-analysis of steroid data
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DOI：
10.1016/s0378-5173(02)00057-1
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发表时间：
2002-05-15
影响因子：
5.8
通讯作者：
Cronin, MTD
中科院分区：
文献类型：
--
作者：
Moss, GP;Cronin, MTD
已经观察到某些分子，特别是类固醇，对于皮肤渗透性（k（p））的定量结构-渗透性关系（QSPR）是异常值。然而，最近发现这些化合物的许多历史皮肤渗透性数据与更现代的数据不一致。在本研究中，重新分析了QSPR，用最近研究的数据替换了最初发表的类固醇渗透性数据。根据辛醇-水分配系数（log P）和分子量（MW）推导出描述皮肤渗透性的高度显著的QSPR（log k（p）= 0.74 log P - 0.0091MW - 2.39）。这个模型与以前发表的模型相似。QSPR残差的统计分析确定类固醇不再是该模型的离群值。因此，可以认为它们通过与该模型中的大多数外源性化学物质相同的方式渗透皮肤。(C)2002 Elsevier Science B. V.保留所有权利。
Certain molecules, in particular steroids, have been observed to be outliers to quantitative structure-permeability relationships (QSPRs) for skin permeability (k(p)). Recently, however, many of the historical skin permeability data for these compounds have been found not to be consistent with more modern data. In this study QSPRs were re-analysed replacing the originally published steroid permeability data with those from more recent studies. A highly significant QSPR describing skin permeability in terms of the octanol-water partition coefficient (log P) and molecular weight (MW) was derived (log k(p) = 0.74 log P - 0.0091MW - 2.39). This model is similar to those published previously. Statistical analysis of the residuals from the QSPR determined that the steroids are no longer outliers to this model. Thus, they may be considered to penetrate the skin by the same means as the majority of exogenous chemicals in this model. (C) 2002 Elsevier Science B.V. All rights reserved.