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Metabolic Databases for drug-drug and drug-chemical interactions

Presented is development and use of Human Metabolism Databases based on an approach published in: Rendic S. and DiCarlo F., Drug Metab. Rev., 29 (1&2) 413-580, 1997 and Rendic S., Drug Metab. Rev., Special issue on Human P450s, 34 (1&2) 83-448, 2002. The data on P450 enzymes were used for initial development of the metabolic databases in a format enabling quick qualitative and accurate quantitative approach to the latest data on specific interactions for a given substance (endo- or xenobiotics) with Human P450 (CYP) Enzymes, extended further to Human Transporters and supported by the Structural database. The data are designed for predicting and interpreting of the P450 metabolic data for application in drug design and development. The data have also been used to extract and analyze structural information contributing to metabolic reactions.

drug design; metabolic databases; metabolic enzymes and transporters; benefits and limitations

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