Predicting skin permeability of drugs with theoretical parameters
Fu, X.C.; Liang, W.Q.; Yu, Q.S.
Yao Xue Xue Bao 36(2): 145-147
2001
ISSN/ISBN: 0513-4870 PMID: 12579885 Document Number: 533355
To predict skin permeability of drugs with theoretical parameters. The semiempirical self-consistent field molecular calculation AM1 method is utilized to obtain the structural parameters of drug molecules. Stepwise multiple regression analysis or BP network is then utilized to establish the correlation between skin permeability of drugs and their structural parameters. The calculated human skin permeability coefficients (kp) of 22 model drugs in vitro or the R values (R = absorbed/unabsorbed) of 17 drugs in vivo are in good agreement with their observed values. Theoretical parameters can be used to predict skin permeability of drugs.