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RP - 18薄层层析法及类固醇皮肤渗透性的计算研究

RP-18 TLC Chromatographic and Computational Study of Skin Permeability of Steroids.

作者信息

Sobanska Anna W Weronika, Robertson Jeremy, Brzezińska Elżbieta

机构信息

Department of Analytical Chemistry, Faculty of Pharmacy, Medical University of Lodz, ul. Muszyńskiego 1, 90-151 Łódź, Poland.

Chemistry Research Laboratory, Department of Chemistry, University of Oxford, Mansfield Road, Oxford OX1 3TA, UK.

出版信息

Pharmaceuticals (Basel). 2021 Jun 22;14(7):600. doi: 10.3390/ph14070600.

Abstract

The skin permeability of steroids, as investigated in this study, is important because some of these compounds are, or could, be used in preparations applied topically. Several models of skin permeability, involving thin layer chromatographic and calculated descriptors, were generated and validated using reference values obtained in silico and then tested on a group of solutes whose experimental values could be found (log ). The study established that the most applicable log model is based on RP-18 thin layer chromatographic data () and the calculated descriptors (molar volume) and (polar surface area). Two less efficient, yet simple, equations based on or combined with (H-donor count) can be used with caution for rapid, rough estimations of compounds' skin permeability prior to their chemical synthesis.

摘要

如本研究中所调查的,类固醇的皮肤渗透性很重要,因为其中一些化合物正在或可能用于局部应用制剂中。使用计算机模拟获得的参考值生成并验证了几种皮肤渗透性模型,这些模型涉及薄层色谱和计算描述符,然后在一组能找到实验值(log )的溶质上进行测试。该研究确定,最适用的log 模型基于RP - 18薄层色谱数据()以及计算描述符(摩尔体积)和 (极性表面积)。另外两个效率较低但简单的方程,基于 或 与 (氢供体计数)相结合,可在化合物化学合成之前谨慎用于快速、粗略估计其皮肤渗透性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/606a/8308496/e7210b6cd323/pharmaceuticals-14-00600-g001.jpg

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