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Fragment screening at AstraZeneca: developing the next generation biophysics fragment set.
Simon C C Lucas1, Ulf Börjesson2, Mark J Bostock3
1Hit Discovery, Discovery Sciences, R&D, AstraZeneca Cambridge UK simon.lucas1@astrazeneca.com.
RSC Medicinal Chemistry
|November 3, 2022
Summary
AstraZeneca redeveloped its fragment library for drug discovery, ensuring high quality and flexibility. Medicinal chemists
Area of Science:
- Drug discovery and medicinal chemistry
Background:
- Fragment-based drug discovery (FBDD) is essential for lead generation.
- The existing AstraZeneca fragment library required redevelopment due to depletion and compound deterioration.
Purpose of the Study:
- To outline a strategy for redeveloping a high-quality fragment library for screening.
- To improve the flexibility and robustness of fragment screening sets.
Main Methods:
- Involving medicinal chemists in early-stage fragment selection.
- Structuring the library in a layered format for target-specific flexibility.
Main Results:
- A strategic redevelopment of the fragment library was successfully implemented.
- The new strategy ensures the fragment set meets stringent quality requirements for screening.
Conclusions:
- Early medicinal chemist input and a layered library structure enhance fragment screening effectiveness.
- This approach provides a flexible and high-quality resource for drug discovery programs.
