Quantitative Structure Permeability

Ekins, S., G. L. Durst, R. E. Stratford, D. A. Thorner, R. Lewis, R. J. Loncharich, and J. H. Wikel. Three-dimensional quantitative structure-permeability relationship analysis for a series of inhibitors of rhinovirus replication, J. Chem. Inf. Comput. Sci. 2001, 41, 1578-1586... 

Jung SJ, Choi SO, Urn SY, Kim JI, Choo HY, Choi SY and Chung SY (2006) Prediction of the Permeability of Drugs Through Study on Quantitative Structure-Permeability Relationship. J Pharm BiomedAnal 41 pp 469 175. 

Cronin MTD, Dearden JC, Moss GP, Murray-Dickson G (1999) Investigation of the mechanism of flux across human skin in vitro by quantitative structure-permeability relationships. Eur J Pharm Sci 7 325-330. 

Patel H, ten Berge W, Cronin MTD (2002) Quantitative structure-permeability relationships (QSPRs) for percutaneous absorption. Toxicol. In Vitro 16 299-317. 

Cronin MTD, Dearden JC, Gupta R, Moss GP (1998) An investigation of flux across polydimethylsiloxane membranes by use of quantitative structure-permeability relationship. J Pharm Pharmacol 50 143-152. 

In addition to in vivo and in vitro experimentation, mathematical models and quantitative structure-permeability relationship (QSAR) methods have been used to predict skin absorption in humans. These models use the physico-chemical properties of the test compound (e.g. volatility, ionization, molecular weight, water/lipid partition, etc.) to predict skin absorption in humans (Moss et al 2002). The models are particularly attractive because of the low cost and rapidity. However, because of the above-mentioned factors influencing dermal absorption, mathematical models are of limited use for risk assessment purposes. Since these models are currently not accepted by regulatory agencies involved in pesticide evaluations, they will not be further discussed in this chapter. 

El Tayar, N., Tsai, R.-S., Testa, B., Carrupt, P.-A., Hansch, C. and Leo, A. (1991a). Percutaneous Penetration of Drugs A Quantitative Structure-Permeability Relationship Study. JPharm.ScL, 80,744-749. 

The mo.st promising approach is to further extend this rationale using linear free energy relationships (LFERs) to relate permeability to the physical properties of the penetrant under defined experimental conditions (dose, membrane selection, and vehicle). Geinoz et al. (2004) critically reviewed most such quantitative structure permeability... 

Modified Quantitative Structure-Permeability Relationship Equations... 

Modified Quantitative Structure-Permeability Relationship Equations That Predict Chemical Absorption from a Mixture... 

Wikel, /. Chem. Inf. Comput. Sci., 41, 1578 (2001). Three Dimensional Quantitative Structure Permeability Relationship Analysis for a Series of Inhibitors of Rhinovirus Replication. 

Miyamoto J, Nishida T, Ueda K (1971) Metabolic fate of resmethrin, 5-benzyl-3-furylmethyl A -trans chrysanthemate in the rat. Pestic Biochem Physiol 1 293-306 Miyamoto J, Suzuki T, Nakae C (1974) Metabolism of phenothrin (3-phenoxybenzyl A-trans-chrysanthemumate) in mammals. Pestic Biochem Physiol 4 438-450 Moss GP, Derden JC, Patel H, Cronin MT (2002) Quantitative structure-permeability relationships (QSPRs) for percutaneous absorption. Toxicol In Vitro 16 299-317 Mugeng J, Soderlund DM (1982) Liquid chromatographic determination and resolution of the enantiomers of the acid moieties of pyrethroid insecticides as their (-)-l-(l-phenyl)ethylamide derivatives. J Chromatogr A 248(1) 143-149... 

---