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Industrial perspective on X-ray data collection and analysis.

Tadeusz Skarzynski¹, James Thorpe

¹GlaxoSmithKline, UK. tadeusz.j.skarzynski@gsk.com

Acta Crystallographica. Section D, Biological Crystallography

|December 22, 2005

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Pharmaceutical protein crystallography uses advanced methods for drug discovery. Technology and computational approaches are key to increasing throughput and meeting medicinal chemistry project timelines for novel drug targets.

Area of Science:

Structural biology
Drug discovery
Medicinal chemistry

Background:

Pharmaceutical industry research teams utilize protein crystallography, similar to academic groups, but with distinct approaches for drug discovery.
The focus is on determining novel structures of drug targets and their complexes with potential drug candidates.

Purpose of the Study:

To provide an overview of current X-ray data collection and processing approaches in the industrial pharmaceutical environment.
To highlight how technology addresses the challenges of high-throughput structural biology in drug development.

Main Methods:

X-ray data collection strategies in an industrial setting.
Computational methods for accelerating structure determination.
High-throughput screening and analysis of protein crystal structures.

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Main Results:

Industrial protein crystallography prioritizes timely delivery of crystal structures relevant to medicinal chemistry.
Technological advancements and computational methods are crucial for increasing efficiency and throughput.
Examples demonstrate the application of technology to overcome high-throughput challenges.

Conclusions:

Industrial structural biology employs distinct practices to meet the rapid demands of drug discovery.
Investment in technology and computational methods is vital for high-throughput structure determination.
Optimized workflows are essential for impacting medicinal chemistry projects efficiently.