Xenobiotic Metabolism Database

Mekenyan, O., Jones, W. J., Kolanczyk, R. C., and Schmieder, P. K. (2007). Design and performance of a xenobiotic metabohsm database manager for metabolic simulator enhancement and chemical risk analysis. In SEIAC Europe 17th Annual Meeting, Porto, Patugal. 

A new tool for computational ADME/Tox called MetaDrug includes a manually annotated Oracle database of human drug metabolism information including xenobiotic reactions, enzyme substrates, and enzyme inhibitors with kinetic data. The MetaDrug database has been used to predict some of the major metabolic pathways and identify the involvement of P450s [78]. This database has enabled the generation of over 80 key metabolic... 

Figure 8.3. Biocatalysis/biodegradation database for xenometabolism. The BBD is the primary resource for searching/retrieving information on xenobiotics and their metabolic pathways.

The University of Minnesota has been adding to the Biocatalysis/Biodegradation Database [Ellis et al. 2003] since the early 1990s. It includes 144 pathways of microbial metabolism, mostly for xenobiotic degradation. 

The University of Minnesota Biocatalysis/Biodegradation Database (UM-BBD) is a data repository providing curated information on microbial catabolic enzymes and their organization into metabolic pathways 54. At present, the UM-BBD stores information on approximately 100 pathways with 700 reactions, 600 compounds and 400 enzymes. The database does not try to cover every known enzyme but rather focuses on those used for the biodegradation of xenobiotics. UM-BBD is linked to the ENZYME, BRENDA and KEGG/LIGAND databases mentioned above. 

A complete system for managing in-house and literature sources of metabolic information. The system includes a database containing key information about xenobiotic transformations of compounds from literature sources a novel access application that indexes path and scheme information and a registration system that allows scientists to... 

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