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1 Polish Journal of Chemistry

1 2008

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Structure Correlated Parameters and Their Influence on the Bioactivity of Compounds

Persona M., Gęca T., Persona A., Richtr V., Kraitr M.

Polish Journal of Chemistry

2008

Vol. 82, nr 1-2

241-247

The skin barrier function is important both to the topical delivery of drugs and to risk assessment following dermal exposure to various chemicals. It is impossible to assess the skin permeability of all new molecules synthesized in laboratory using only in vivo experiments. Computationalmodeling and QSAR methods provide an inexpensive and fast way to assess the potential for skin permeability of molecule before synthesis and enables prioritization of molecules for in vitro and in vivotests. To illustrate the possibility of the use of calculation methods to estimate the skin permeability of compounds a congeneric series of triterpenes was chosen.