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| Fragment-based Drug Discovery |
eCheminfo InterAction Meeting Session, Bryn Mawr, Philadelphia, USA,
17 October 2007
chaired by Maria Kontoyianni Bio....
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Fragment-based drug discovery (FBDD) is a rapidly emerging field to identifying novel, small molecule, preclinical development candidates. Because traditional high-throughput screening has had its challenges, due to the complexity and relatively large size of the compounds routinely being screened, FBDD had been gaining momentum as an alternative approach. It starts with very small, low molecular weight, drug fragments which have the potential to keep the overall complexity and molecular weight of each drug candidate low. Traditional bioassays are not able to detect small drug fragments because of their low potency binding to the protein target. Thus, FBDD integrates biophysical techniques, such as X-ray crystallography, nuclear magnetic resonance spectroscopy, isothermal calorimetry with fragment library design and a range of computational methodologies for an efficient hit-to-lead process. In this session, we have invited leading scientists to share their experiences and research in FBDD.
The ultimate success of any drug discovery program is measured by the quality and quantity of the drugs it produces. FBDD has been practical in the past decade only, thus too soon to put its stamp on marketed drugs. However, we have faith that it will indeed deliver on its promise.
Presenters & Discussions Leaders
Chaohong Sun (Abbott), NMR In target profiling and compound file enhancement Abstract & Bio....
Renate Sekul (Graffinity), Fragment based discovery by SPR imaging of chemical microarrays Abstract & Bio....
Woody Sherman (Schrodinger), Using fragments to couple ligand- and structure-based approaches Abstract & Bio....
Georgia McGaughey (Merck), Design of Beta-secretase (BACE-1) inhibitors through in silico property-based fragment scanning Abstract & Bio....
KEYNOTE: Stephen Burley (SGX Pharmaceuticals), Fragment-based discovery of selective, orally bioavailable tyrosine kinase inhibitors for targeted treatment of human cancers Abstract & Bio....
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