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Copyright @ Pol J Cosmetol
Pol J Cosmetol 2006, 9(3): 193-196pl,en  The Use of QSAR Analysis in Cosmetology. Part III. Comparison of Indirect Assessment Quality of Compound LipophilicityDorota Kusztal, Piotr Włodno Zakład Chemii Analitycznej Katedra Chemii Medycznej Uniwersytetu Medycznego w Łodzi Summary Aims. The aim of the current article is an adequate classification of the obtained results in order to obtain clear correlations between anticipated and experimentally calculated logP, which is a crucial indicator of percutaneous penetration. Material and methods. Our research comprised calculation of polarizability and molar refraction by means of HyperChem 7.0 manufactured by Hypercube. 48 compounds with the comparatively simple structure were examined. Results. In the analyzed groups of compounds, almost identical correlations were obtained for aliphatic compounds, regardless of the type of the used parameter. The explanation can be that basic aliphatic compounds were taken into consideration, in that case calculated theoretical desciptors are burdened with serious errors. Conclusion. Adequate interpretation of mathematical models permits collection of the function of the examined biological properties, which in consequence facilitates the design of chemical substances structurally dissimilar and better meets the needs of the environment. Key words: lipophilicity, logP, QSAR |