Fragment-Based Drug Discovery
Astex is recognized as a leader in fragment-based drug discovery, one of the most significant advances in the last 20 years.
- Starts with very small, low molecular weight drug fragments
- These fragments have the potential to keep the overall complexity and molecular weight of each drug candidate low
- These are key factors in successful drug development
Traditional bioassays used in high-throughput screening are generally unable to detect such small drug fragments because of their low potency binding to the protein target.
The Pyramid™ platform of Astex Pharmaceuticals™ integrates biophysical techniques, such as X-ray crystallography, nuclear magnetic resonance spectroscopy and calorimetry, with fragment library design and a range of computational methodologies. This integration creates a proprietary approach for fragment-based drug discovery.
Due to the very high sensitivity of Pyramid™, fragment binding, not generally detectable using conventional screening techniques, can be routinely identified.
- Affords a detailed understanding of the fragment’s binding environment at an atomic level
- These structural insights support a very efficient chemistry optimization process in which each additional functional group is designed to contribute to protein binding in a defined and productive manner
- Drug candidates are designed to have lower molecular weight, reduced metabolic liability, improved target selectivity and ease of chemical synthesis
Fragment Based Drug Screening
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AstexViewer™ is a Java molecular graphics program that assists in structure-based drug design. OpenAstexViewer is freely available under an open source license from the following site: http://www.openastexviewer.net/web/.