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Analysing the output from primary screening
Dawn Nowlin1, Patrick Bingham, Andrew Berridge
1Discovery Technologies-High Throughput Screening, La Jolla, USA. Dawn.Nowlin@pfizer.com
Combinatorial Chemistry & High Throughput Screening
|June 22, 2006
Summary
Analyzing over 73,000 compounds from 63 high-throughput screening (HTS) campaigns reveals trends in active compounds. This process-centric view optimizes biological screening strategies and enhances drug discovery efforts.
Area of Science:
- Drug discovery and development
- Medicinal chemistry
- Pharmacology
Background:
- Biological screening is crucial for identifying potential drug candidates.
- Analyzing screening results solely on a project basis limits strategic optimization.
- A process-centric approach can enhance the understanding of compound populations.
Purpose of the Study:
- To analyze trends in active compounds from multiple high-throughput screening (HTS) campaigns.
- To demonstrate the value of a process-centric view for optimizing screening strategies.
- To investigate the physico-chemical profiles of compounds identified through biological screening.
Main Methods:
- Analysis of 73,651 compounds with reproducible results from 63 HTS campaigns.
- Focus on the physico-chemical properties of active compound populations.
- Cross-project data aggregation for trend identification.
Main Results:
- Identified underlying trends within the population of active compounds.
- Highlighted the importance of physico-chemical properties for in vivo activity.
- Demonstrated that a process-centric analysis provides deeper insights than project-specific outcomes.
Conclusions:
- Summarizing outcomes across multiple projects enhances understanding of biological screening.
- A process-centric view enables optimization of screening strategies for specific targets or compound classes.
- Physico-chemical profiling is key to understanding and predicting drug molecule activity.