The platform is set to aid in quickening the pace of drug discovery and development, having numerous applications in human drug metabolism, algorithms for predicting and prioritisation of metabolites, the ability to highlight reactive metabolites and the most extensive set of predictive ADME/Tox models available.
MetaDrug features pathways and networks for human proteins related to ADME/Tox; a database of small molecules with kinetic data for human drug metabolising enzymes, proprietary algorithms for rule-based metabolite prediction, highlighting of reactive metabolites and descriptors relevant to ADME parsers for importing data from all major microarray platforms.
ADME and toxicity analyses of compounds in preclinical screening is currently a source of the bottleneck in drug discovery and attention is focused on ways to develop high-throughput methods that can hasten the process.
A unique feature MetaDrug enables analysis of toxicogeneomics data that can be visualized on networks and on static pathways maps. The user can therefore interpret both chemical and biological data in the context of the whole organism, merging predictions with empirical data when available. This could prove invaluable for preclinical assessment of molecules and their predicted properties.
MetaDrug is also complimentary with MetaCore enabling researchers to build and analyse protein-protein, protein-ligand and genetic interaction networks using GeneGo's databases of human biology and active chemistry.
MetaCore is an integrated software suite for functional analysis of microarrays, SAGE, proteomics and other experimental data. MetaCore is based on the unique, curated database of human protein-protein and protein-DNA interactions, transcriptional factors, signaling, metabolism and bioactive molecules.
Ultimately both products enable the prediction of interactions of a small molecule with both xenobiotic and endogenous metabolism, regulation and cellular signalling.