High throughput ADME screening: practical considerations, impact on the portfolio and enabler of in silico ADME models

Knowledge Source Identification
Knowledge source name	High throughput ADME screening: practical considerations, impact on the portfolio and enabler of in silico ADME models
Owner/Developer	Current Drug Metabolism
Country	United States of America
Languages	English
URL	http://www.ncbi.nlm.nih.gov/pubmed/18991580
Description	Evaluation and optimization of drug metabolism and pharmacokinetic data plays an important role in drug discovery and development and several reliable in vitro ADME models are available. Recently higher throughput in vitro ADME screening facilities have been established in order to be able to evaluate an appreciable fraction of synthesized compounds. The ADME screening process can be dissected in five distinct steps: (1) plate management of compounds in need of in vitro ADME data, (2) optimization of the MS/MS method for the compounds, (3) in vitro ADME experiments and sample clean up, (4) collection and reduction of the raw LC-MS/MS data and (5) archival of the processed ADME data. All steps will be described in detail and the value of the data on drug discovery projects will be discussed as well. Finally, in vitro ADME screening can generate large quantities of data obtained under identical conditions to allow building of reliable in silico models.
Knowledge Source Category
Category	Publication
Sub categories	Review / Research article
Knowledge Dissemination and Sharing
Dissemination channel	Website, Social media, Professional online network, Printed
Targeted audience (specified/objective analysis)	Researchers, Scientists, Industry
Users access	Restricted access, Fee-based access
Knowledge Characterization
3Rs relevance	Replacement, Reduction
Purpose	Documentation and information, Toxicological and safety evaluation
Technology/Tools	Alternative test methods (in vitro), Non-testing methods (in silico), High throughput screening