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Drug Metabolism
Databases and High-Throughput Testing During Drug Design and Development

Erhardt, P.W.

Blackwell Science, 1999 [ISBN 0-632-05342-9]

Given the exponential proliferation of technical data and our increasing ability to rapidly disseminate it through a vast maze of electronic networks, it is no wonder that new systems capable of managing and integrating information are regarded among the most important of the emerging technologies for future growth and economic development across the globe. And in the midst of its own economics-driven revolution, this theme is probably nowhere more relevant than within the pharmaceutical research and health-care enterprise where new technologies having the potential to accelerate drug discovery or to expedite the development of new drug candidates, along with improved systems for enhancing the equitable delivery and pharmacoeconomics of pharmaceutical care, would be immediately greeted with considerable international enthusiasm.

It was into this climate that the International Union of Pure and Applied Chemistry (IUPAC) chose to initiate a Working Party (WP) whose specific mission would be to consider the topic 'Metabolism Databases and Their Potential Utility in the Development of New Drugs.' This text represents the product from the IUPAC sponsored WP's efforts as it has attempted to address this topic during the course of the last year-and-a-half.


Introduction; Drug Metabolism Data: Past, Present and Future Considerations;

Case Studies; Metabolism Considerations During the Discovery and Development of Chlorpropamide, Pyrantel, Tetramisol and Certain Alpha-adrenergic Agonists; Use of a Metabolism Database During the Development of Zyflo; Prediction of Tebufelone Metabolism Using a Metabolism Database Approach; Use of Metabolism Databases at Parke-Davis Pharmaceutical Research, Inc.; A Perspective on the Use and Role of Metabolic Databases at Pharmacia & Upjohn, Inc.; Use of a Metabolism Database at Eli Lilly & Co.; Use of a Metabolism Database at Bayer A.G.; Construction of a Metabolism Database Emphasizing Human CYP Data at Daiichi Pharmaceutical Co., JP; A Prodrug and a Softdrug;

New Directions; High-Throughput Screening for Gastrointestinal Absorption in the Generation of SAR Databases; Screening for the Effects Cytochromes P450 on New Drugs and for the Influence of New Drugs on the Cytochromes P450; Rationale For The Development Of Databases For The Prediction Of Metabolic Drug Interactions: Experience With Antiepileptic Drugs; High-Throughput Screening For Inhibition Of Cytochrome P450 Metabolism; Three Dimensional Aspects of Metabolism in Human P450 Systems; The Use of Microorganisms in the Study of Drug Metabolism; Metalloporphrins As Synthetic Livers; Higher-Throughput In Vivo Pharmacokinetic Screening; High-Throughput Screening In Preclinical Drug Metabolism: A Burgeoning Trend; Statistics-Based Probabilities of Metabolic Possibilities; Use of Metabolic Databases To Guide Target Selection For Anti-Microbial Drug Design; Comparison of Commercially Available Metabolism Databases During the Design of Prodrugs and Codrugs; Soft Drugs: Designing Safer Drugs by Simplifying Drug Metabolism;

Emerging Products; MetabolExpert: Its Use in Metabolism Research and in Combinatorial Chemistry; META: A Program for the Prediction of the Products of Mammal Metabolism of Xenobiotics; Metabolite; Synopsys' Metabolism Database; Knowledge Based Expert Systems for Toxicity and Metabolism Prediction;

Summary; Drug Metabolism Databases: Some Key Points

115 illustrations
352 pages

> Book review published Molecular Connection Spring 1999, the new newsmagazine of MDL Information Systems, Inc. (pdf file - 179KB) also at <http://www.mdli.com/cgi/dynamic/newsmagazine.html>

> View corresponding project


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