Proceedings

Day 1 - Tuesday, October 9, 2001

TuOA
Plenary

Of Mice and Magnets: Metabonomic Technology as a Tool for Rapid-Throughput Toxicity Evaluation

TuOB

Structure Profiling

Identification of metabolites is becoming an increasingly important aspect of drug discovery at most pharmaceutical companies. Identification of problem metabolites (such as acyl-glucuronide conjugates) early in drug candidate selection can save a company millions of dollars by terminating a non-suitable drug candidate or series prior to passage into development. Furthermore, by providing the synthetic chemists with a detailed insight into the metabolic liabilities of a compound a more guided approach to synthesis of future compounds becomes possible. Due to this, drug metabolism departments in discovery are being required to be more exact with their characterization of metabolites as well as being faster in their data turnaround. Several new recently introduced instrument types, coupled with increasingly sophisticated metabolite identification software are allowing metabolite identification groups to automate some aspects of the identification process while providing analysis tools allowing them to work faster. This session will address some of the issues, solutions, instrumentation and software available as well as discuss future trends and requirements.

Chemical Structure Based Software Tools for Metabolite Identification

Integration of Software-Based Strategies in the Drug Discovery Metabolite Identification Process

Application of PULSAR^TM Quadrupole-Time of Flight Mass Spectrometry to the Analysis of Drug Metabolites

Roundtable Discussion 1

TuOC

Vendor/Exhibitor Session-Sample Preparation & Chromatography

Separation technology is widely deployed across the continuum of pharmaceutical research and development encompassing several chromatographic formats. A persistent challenge, common to most applications, is the need to preserve chromatographic fidelity in the face of ever increasing demands for sample throughput. Hyphenated MS techniques have been key to answering this challenge. This session will highlight novel approaches relating to accelerated analysis in the areas of proteomics, chemical synthesis and quantitative bioanalysis.

Multi-dimensional Chromatographic Formats for Proteomics

SFC for Drug Discovery

MUX for Parallel LC/MS

Ultrafast Gradient Elution LC/MS for Bioanalysis

Roundtable Discussion 2

TuOD:

High Throughput Synthesis Support: Open Access Applications and Formats

The introduction of open access technologies, namely MS and NMR, has dramatically altered the analytical QC approaches to support medicinal and high-throughput chemistry programs. Walk-up instrumentation, designed with the end-user in mind, allows the medicinal chemist to make first-hand and immediate decisions concerning the success or failure of synthetic processes. The session will provide a brief historical outlook on the development of open access technologies and their use in the pharmaceutical industry. Special emphasis is given to the customer, supplier and vendor-relationships and the support structures that have been developed in a number of pharmaceutical companies. Discussion will also be provided on the future state of the technology and potential advancements in the next 2-5 years.

Mix & Split Libraries to Parallel Synthesis: A Collaborative High Throughput Chemistry / Analytical Chemistry Transition (1996-2001)

Open-Access and Analytical Service Technologies: Strategies for the Next Generation Support of Medicinal Chemistry

Should We Extend Open-Access or Assisted Access Systems to Compound Purification and ADME Support?

Roundtable Discussion 3

Poster Sessions