Novel Strategies for Compound Identification from Compound Libraries: High-Throughput Screening

Novel Strategies for Compound Identification from Compound Libraries: High-Throughput Screening

Tuesday, April 24, 2007

The New York Academy of Sciences

Organizer: Charles A. Lunn, Schering-Plough Research Institute

Agenda

1:00-1:10 PM: Introduction
Charles A. Lunn, Schering-Plough Research Institute

1:15-1:55 PM:
Jim Inglese, National Institute of Health (NIH), Chemical Genomics Center
"Overview of the NIH Molecular Libraries Roadmap Initiative and the NCGC's Quantitative High Throughput Screening Approach to Chemical Genomics"

2:00-2:40 PM:
Matthew Sills
, Pharmacopeia Drug Discovery, Inc.
"Identification of Lead Compounds Using Different Screening Approaches in Lead Discovery"

2:45-3:15 PM: Coffee Break

3:20-4:00 PM:
Larry A. Sklar
, University of New Mexico
"Integration of Virtual Screening with High-throughput Flow Cytometry to Identify Novel Small Molecules: Case Studies"

4:05-4:45 PM:
Can Ozbal
, Director, BioTrove, Inc.
"High Throughput Screening via RapidFireTM Mass Spectrometry"

4:50-5:00 PM: Closing Remarks
Charles A. Lunn, Schering-Plough Research Institute

The BPDG at the New York Academy of Sciences represents a diverse group of scientists and others with an interest in biochemistry, molecular biology, biomedical research, and related areas.

Members are from pharmaceutical and biotechnology companies, and university and medical center research facilities across the Eastern United States. The group also serves as the Biochemical Topical Group for the American Chemical Society's New York Section.

The purpose of the BPDG is to bring together diverse institutions and communities, industrial and academic, to share new and relevant information at the frontiers of research and development.

Abstracts

Overview of the NIH Molecular Libraries Roadmap Initiative and the NCGC's Quantitative High Throughput Screening Approach to Chemical Genomics
Jim Inglese
NIH, Chemical Genomics Center

The NIH Chemical Genomics Center (NCGC), a member of the Molecular Libraries Screening Center Network (MLSCN), uses the tools of small molecule discovery to develop chemical probes for the study of protein and cell functions. By utilizing advances in assay design, instrumentation, and data analysis, the NCGC has developed a strategy called quantitative HTS (qHTS). Unlike traditional HTS, where compound activity is measured at a single concentration, qHTS assays compounds at a series of concentrations, resulting in a titration-response profile for each library member. qHTS precisely and comprehensively measures each compound's activity in the assay, and enables in-depth structure-activity relationships (SAR) and compound profiling across many assays, all from the primary screening results. qHTS accelerates the generation of high quality probes and guides follow-up chemistry, which if needed is performed by NCGC's chemistry staff. To date, the NCGC has screened over 50 assays, generated more than 20 million results and entered the data into PubChem, a public database maintained by the National Library of Medicine.

Identification of Lead Compounds Using Different Screening Approaches in Lead Discovery
Matthew A. Sills

Pharmacopeia Drug Discovery

The screening of large compound libraries to identify novel lead compounds has evolved considerably during the past 20 years. A continuing challenge faced in lead discovery is how to effectively evaluate an increasing library of compounds without a concomitant increase in budget. One approach utilized by a number of companies is the evaluation of compounds as mixtures in prim