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        Discriminant analysis as a tool to identify compounds with potential as transdermal enhancers

        Author
        Pugh, W.J.
        Wong, R.
        Falson, F.
        Michniak, B.B.
        Moss, G.P.
        Attention
        2299/4834
        Abstract
        Structure-activity relationships were sought for 73 enhancers of hydrocortisone permeation from propylene glycol across hairless mouse skin. Enhancers had chain lengths (CC) from 0 to 16 carbon atoms, 1 to 8 H-bonding atoms (HB), molecular weight 60 to 450, log P (calculated) −1.7 to 9.7 and log S (calculated) −7.8 to 0.7. These predictive properties were chosen because of their ready availability. Enhancement ratio (ER) was defined as hydrocortisone transferred after 24 h relative to control. Values for the ER ranged from 0.2 to 25.3. Multiple regression analysis failed to predict activity; ER values for the ‘good’ enhancers (ER>10) were underestimated. Simple guidelines suggested that high ER was associated with CC>12 and HB 2–5. This was refined by multivariate analysis to identify significant predictors. Discriminant analysis using CC, HB, and molecular weight correctly assigned 11 of the 12 ‘good’ enhancers (92%). The incorrectly assigned compound was a known, idiosyncratic Br compound. Seventeen of the 61 ‘poor’ enhancers (28%) were incorrectly assigned but four could be considered marginal (ER>8). The success of this simple approach in identifying potent enhancers suggested its potential in predicting novel enhancer activity.
        Publication date
        2005
        Published in
        Journal of Pharmacy and Pharmacology
        Published version
        https://doi.org/10.1211/jpp.57.11.0003
        Other links
        http://hdl.handle.net/2299/4834
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