High-throughput ADME screens

Keseruu, G. M. and Molnar, L., METAPRINT a metabolic fingerprint. Application to cassette design for high-throughput ADME screening, J. Chem. Inf. Comput. Sci., 2002, 42, 437-444. 

The advent of automation techniques moved high-throughput ADME screening from individual test tube to multiwell plates. The use of 96- and 384-well plates produced a data explosion and the need to capture, store, and mine data so that it can be used effectively. A database for storing and... 

LGMS APPLICATION IN HIGH-THROUGHPUT ADME SCREEN... 

Herman, J. L. (2004). Generic approach to high throughput ADME screening for lead candidate optimization. Int. J. Mass Spectrom. 238 107-117. 

These automated assays can be used for high-throughput ADME screening in early drug discovery. The double-sink PAMPA permeability assay mimics in vivo conditions by the use of a chemical sink in the acceptor wells and pH gradient in the donor wells. The use of the pION gut-box integrated on the deck has shortened the PAMPA assay incubation time to 30 minutes. The permeability coefficient and rank order correlate well with data obtained using the in vitro Caco-2 assay and in vivo permeability properties measured in rat intestinal perfusions. 

Whalen, K., Gobey, J., and Janiszewski, J., A centralized approach to tandem mass spectrometry method development for high-throughput ADME screening, Rapid Commun. Mass Spectrom., 20(10), 1497, 2006. 

Hop, C.E. et al., High throughput ADME screening Practical considerations, impact on the portfolio and enabler of in silico ADME models, Curr. Drug Metab., 9(9), 847, 2008. 

Metabolic Fingerprint. Application to Cassette Design for High-Throughput ADME Screening. 

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