COMPACT: a structural approach to the modelling of cytochromes P450 and their interactions with xenobiotics

Lewis DFV

Journal of Chemical Technology and Biotechnology, Vol.76, No.3, 237-244, 2001

An overview of the COMPACT method for evaluating potential toxicity mediated by cytochrome P450 enzymes is presented. Particular aspects of P450s are described, together with details of QSARs and homology modelling of mammalian P450s associated with foreign compound metabolism.

Keywords:cytochromes P450;COMPACT (computer - optimized molecular parametric analysis of chemical toxicity;QSAR (quantitative structure - activity relationship)