The Effect of Structural QSAR Parameters on Skin Penetration

Ghafourian, Taravat and Fooladi, Shadi (2001) The Effect of Structural QSAR Parameters on Skin Penetration. International Journal of Pharmaceutics, 217 (1-2). pp. 1-11. ISSN 0378-5173. (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

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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 kplog Km, where D is the diffusion coefficient and h is the path length for diffusion was also analyzed successfully by the structural parameters.

Item Type: Article
Subjects: Q Science
Q Science > QD Chemistry
Divisions: Faculties > Science Technology and Medical Studies > Medway School of Pharmacy
Depositing User: Taravat Ghafourian
Date Deposited: 06 Nov 2008 19:05
Last Modified: 20 May 2014 15:28
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