Ghafourian T, Fooladi S
School of Pharmacy, Tabriz Medical Sciences University, 51664, Tabriz, Iran.
Int J Pharm. 2001 Apr 17;217(1-2):1-11. doi: 10.1016/s0378-5173(00)00687-6.
The permeability coefficients (log kp) of solutes through stratum corneum have been previously related to the octanol-water partition coefficients (log Poct) and solvatochromic parameters. In this study, permeation coefficient data are related to the theoretical chemistry-derived structural parameters and also molecular connectivity and molecular shape indices. The results show that these parameters are comparable with the solvatochromic parameters in correlation with log kp. Log Poct can be corrected by the theoretical parameters to explain permeation coefficients and the equilibrium distribution of compounds between the stratum corneum and water (log Km). Diffusion estimated from the expression log(D/h)=log kp-log Km, where D is the diffusion coefficient and h is the path length for diffusion was also analyzed successfully by the structural parameters.
溶质通过角质层的渗透系数（log kp）此前已与正辛醇-水分配系数（log Poct）和溶剂化显色参数相关。在本研究中，渗透系数数据与源自理论化学的结构参数以及分子连接性和分子形状指数相关。结果表明，这些参数在与log kp的相关性方面与溶剂化显色参数相当。Log Poct可以通过理论参数进行校正，以解释渗透系数以及化合物在角质层和水之间的平衡分布（log Km）。根据表达式log(D/h)=log kp - log Km估算的扩散（其中D是扩散系数，h是扩散路径长度）也通过结构参数得到了成功分析。
