Engineering An Experimental Platform for High Throughput Reactivity Screening

Patrick Kiser, Glenn C. Collupy, Gary M. Eichenbaum, Chad Rush, Stephan Baumann, Mark P. Kust, Michael D. Greaves, Erik D. Frederick, Bernd Soltmann, Helen Vasina, Charles Orji, Bruno Bienfiat, John D. Brown, John Davies, Marquitta Atkins, Jeffrey R. Lee, Eric Labow, Melissa Harp, Ann E. Goodrich, Hilton ConyersH. Mario Geysen

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

The genomics revolution coupled to advances in computational power, informatics and robotics is driving drug discovery programs to produce drug candidates faster. This need has resulted in advances in high throughput methods for performing organic chemistry such as combinatorial and parallel synthesis. Yet there has not been a corollary advance in the ability to collect quantitative information on reactions that can be used to produce these drug candidates. This lack of an efficient and robust analytical method has resulted in a significant chemistry bottleneck. This work outlines a set of methods that helps address this chemistry bottleneck by using analytical constructs to detect and quantify reaction outcomes. To accomplish this, an integrated experimental-cheminformatics platform has been developed which couples an experimental design system, automated high throughput parallel and combinatorial synthesis methodology, sample processing, quantitative mass spectroscopy and automated data analysis. This platform is being used to optimize single reactions and the syntheses of whole libraries of compounds, and to generate large data-bases on specific reaction classes.

Original languageEnglish (US)
Pages (from-to)99-106
Number of pages8
JournalJALA - Journal of the Association for Laboratory Automation
Volume6
Issue number6
DOIs
StatePublished - Jan 1 2001

Keywords

  • Analytical constructs
  • Cheminformatics
  • High throughput synthesis
  • Quantitative mass spectroscopy
  • Reaction optimization

ASJC Scopus subject areas

  • Computer Science Applications
  • Medical Laboratory Technology

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