PREDICTING SKIN PERMEABILITY OF DRUGS WITH THEORETICAL PARAMETERS
- VernacularTitle:用理论参数预测药物的经皮渗透性
- Author:
Xuchun FU
;
Wenquan LIANG
;
Qingsen YU
- Publication Type:Journal Article
- From:
Acta Pharmaceutica Sinica
2001;36(2):145-147
- CountryChina
- Language:Chinese
-
Abstract:
AIM To predict skin permeability of drugs with theoretical parameters. METHODS 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 neural network is then utilized to establish the correlation between skin permeability of drugs and their structural parameters. RESULTS 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. CONCLUSION Theoretical parameters can be used to predict skin permeability of drugs.
