Cytochrome substrates, QSAR

Metabolism is still a barrier to be overcome. Some QSAR, pharmacophore, protein, and rule-based models are available to predict substrates and inhibitors of a specific cytochrome P450 isoenzyme [47-55]. 

Lewis, D. F., Modi, S., and Dickins, M. (2001) Quantitative structure-activity relationships (QSARs) within substrates of human cytochromes P450 involved in drug metabolism. Drug Metab. Drug Interact. 18, 221-242. 

Hahn M, Rogers D (1998) Receptor surface models. In Kubinyi H, Folkers G, Martin YC (eds) 3D QSAR in drug design, vol. 3 Recent Advances. Kluwer, Dordrecht, pp 117-133 Haji-Momenian S, Rieger JM, Macdonald TL, Brown ML (2003) Comparative molecular field analysis and QSAR on substrate binding to cytochrome P450 2D6. Bioorg Med Chem 11 5545-5554... 

Haji-Momenian, S. Rieger, J. M. Macdonald, T. L. Brown, M. L. Comparative molecular field analysis and QSAR on substrates binding to cytochrome p450 2D6, Bioorg Med Chem. 2003, 11 (24), 5545-5554. 

Lewis, D.F.V. Quantitative structure-activity relationships (QSARs) within the cytochrome P450 system QSARs describing substrate binding, inhibition and induction of P450s, Inflammophar-macology 2003,11, 43-73. 

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