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The effect of structural QSAR parameters on skin penetration
journal contribution
posted on 2023-06-09, 03:27 authored by Taravat Ghafourian, Shadi FooladiThe 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. © 2001 Elsevier Science B.V.
History
Publication status
- Published
Journal
International Journal of PharmaceuticsISSN
0378-5173Publisher
ElsevierExternal DOI
Issue
1-2Volume
217Page range
1-11Department affiliated with
- Biochemistry Publications
Full text available
- No
Peer reviewed?
- Yes
Legacy Posted Date
2017-11-28Usage metrics
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No categories selectedKeywords
alcohol; aldosterone; amobarbital; barbital; butanol; corticosterone; cortisone; cortodoxone; deoxycorticosterone; estradiol; estriol; estrone; heptanol; hexanol; hydrocortisone; hydroxyprogesterone; isoquinoline; methanol; octanol; pentanol; phenobarbital; pregnenolone; pregnenolone derivative; progesterone; propanol; salicylic acid; secbutabarbital; testosteronearticle; chemistry; diffusion coefficient; drug penetration; drug solubility; drug structure; hydrogen bond; molecular size; priority journal; quantitative structure activity relation; skin penetration; stratum corneum; techniqueAlcohols; Cortisone; Epidermis; Ethisterone; Hydrogen Bonding; ModelsChemical; Permeability; Progesterone; Quantitative Structure-Activity Relationship; Skin Absorption; Steroids
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