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

Journal

JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY
Volume 76, Issue 3, Pages 237-244

Publisher

JOHN WILEY & SONS LTD
DOI: 10.1002/jctb.363

Keywords

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

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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. (C) 2001 Society of Chemical Industry.

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