Limitation of Potts and Guy's model and a predictive algorithm for skin permeability including the effects of hydrogen-bond on diffusivity

Pharmazie

Volumn 59, Issue 4, 2004, Pages 282-285

  Fu, Xuchun C ^a   Wang, G P ^b   Wang, Y F ^c   Liang, W Q ^d   Yu, Q S ^e   Chow, M S S ^c  

^a ZHEJIANG UNIVERSITY CITY COLLEGE   (China)

^b ZHEJIANG UNIVERSITY   (China)

^c CHINESE UNIVERSITY OF HONG KONG   (Hong Kong)

^d ZHEJIANG UNIVERSITY   (China)

^e ZHEJIANG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; AQUEOUS SOLUTION; ARTICLE; CORRELATION COEFFICIENT; DIFFUSION COEFFICIENT; DRUG TRANSPORT; HYDROGEN BOND; IN VITRO STUDY; MOLECULAR MECHANICS; MOLECULAR MODEL; MOLECULAR SIZE; PARTITION COEFFICIENT; PHYSICAL CHEMISTRY; SKIN PERMEABILITY;

ALGORITHMS; CHEMISTRY, PHYSICAL; DIFFUSION; HUMANS; HYDROGEN BONDING; MODELS, BIOLOGICAL; OCTANOLS; PERMEABILITY; PREDICTIVE VALUE OF TESTS; SKIN ABSORPTION; SOLUBILITY; WATER;

EID: 1842733343     PISSN: 00317144     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (18)

1. Abraham MH, Chadha HS, Mitchell RC (1995) The factors that influence skin penetration of solutes. J Pharm Pharmacol 47: 8-16.
2. Abraham MH, Martins F, Mitchell RC (1997) Algorithms for skin permeability using hydrogen bond descriptors: the problem of steroids. J Pharm Pharmacol 49: 858-865.
3. Abraham MH, Chadha HS, Martins F, Mitchell RC, Bradbury MW, Gratton JA (1999) Hydrogen bonding part 46. A review of the correlation and prediction of transport properties by an LFER method: physicochemical properties, brain penetration and skin permeability. Pesticide Science 55: 78-88.
4. Alvarez Nuñez FA, Yalkowsky SH (1997) Correlation between log P and Clog P for some steroids. J Pharm Sci 86: 1187-1189.
5. Clark DE (1999) Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption. J Pharm Sci 88: 807-814.
6. Cohen MH, Turbull D (1959) Molecular transport in liquids and glasses. J Chem Phys 31: 1164-1169.
7. Dewar MJS, Zoebisch GE, Healy EF, Stewart JJP (1985) AMI: A new general purpose quamtum mechanical molecular model. J Am Chem Soc 107:3902-3909
8. Flynn GL (1990) Physicochemical determinants of skin absorption. In: Gerrity TR and Henry CJ (ed.) Principles of route-to-route extrapolation for risk assessment, Elsevier, New York, p. 93-127.
9. Fu XC, Liang WQ (1997) Correlation between percutaneous rates of p-aminobenzoates and their molecular structure parameters. Pharmazie 52: 646-647.
10. Fu XC, Ma XW, Liang WQ (2002) Prediction of skin permeability using an artificial neural network. Pharmazie 57: 655-656.
11. Fu XC, Dai YW (2003) Predicting skin permeability of drugs using modified theoretical linear solvation energy relationship. Journal of Zhejiang University (Medical Sciences) 32: 352-355.
12. Ghafourian T, Fooladi S (2001) The effect of structural QSAR parameters on skin penetration. Int J Pharm 217: 1-11.
13. Johnson ME, Blankschtein D, Langer R (1995) Permeation of steroids through human skin. J Pharm Sci 84: 1144-1146.
14. Lien EJ, Gao H (1995) QSAR analysis of skin permeability of various drugs in man as compared to in vivo and in vitro studies in rodents. Pharm Res 12: 583-587.
15. Potts, RO, Guy, RH, (1992) Predicting skin permeability. Pharm Res 9: 663-669.
16. Potts, RO, Guy, RH, (1995) A predictive algorithm for skin permeability: the effects of molecular size and hydrogen bond activity. Pharm Res 12: 1628-1633.
17. Tayar NE, Tsai RS, Testa B, Carrupt PA, Hansch C, Leo A (1991) Percutaneous penetration of drugs: a quantitative structure-permeability relationship study. J Pharm Sci 80: 744-749.
18. Wilschut A, ten Berge WF, Robinson PJ, McKone TE (1995) Estimating skin permeation. The validation of five mathematical models. Chemosphere 30: 1275-1296.