BIBLIOS

Tipo
Artigos em Revista

Tipo de Documento
Artigo Completo

Título
Algorithms for Skin Permeability Using Hydrogen Bond Descriptors: The Problem of Steroids.

Participantes na publicação
M.H. Abraham (Author)
F. Martins (Author)
Dep. Química e Bioquímica
R.C. Mitchell (Author)

Resumo
Several algorithms that use hydrogen bond descriptors have been published for the permeation of compounds from aqueous solution through human stratum corneum. In the present work, all the skin permeability coefficients, Kp in cm s-1 , used in these algorithms for non-steroids have been correlated through the Abraham equation to give a new algorithm:\nlog Kp = -5.241 +0.437R2 - 0.410pi2H - 1.631Sum alfa 2H - 3.286Sum beta 2H +2.012Vx (1)\n(n = 47, r2 = 0.9567, s.d. = 0.197, F = 181)\nwhere n is the number of solutes, r is the correlation coefficient, s.d. is the standard deviation, and F is the F-statistic. The solute descriptors are: R2 an excess molar refraction, pi2H the dipolarity/ polarizability, sum alfa 2H and sum beta 2H the overall or effective hydrogen-bond acidity and basicity, and Vx the McGowan characteristic volume. Equation 1 is a reasonably good predictor of log Kp values for steroids as given by Johnson et al, but not for those given by Scheuplein.


Instituição
FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA

Suporte
Journal of Pharmacy and Pharmacology

Identificadores da Publicação

Editora
Wiley- Blackwell



Identificadores do Documento
DOI - https://doi.org/10.1111/j.2042-7158.1997.tb06126.x