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Primary
fragment screening is an attractive and efficient paradigm in
the quest for new lead molecules. Compounds of low complexity are more
likely to match a given binding site and also make better use of their
chemical functionalities resulting in more efficient binders than those
found in traditional screening libraries.
Due to the higher hit probability, fewer compounds need to be screened
to identify starting points for chemical optimization. Although being
expected to be weak binders, small diverse and information-rich
fragments leave more room for optimization without risking to leave
leadlike or druglike chemical space.
Low-affinity fragment screening using tethered drug fragments on chemical
microarrays is a highly promising approach for the rapid discovery and
optimisation of such small molecules.
Fragment based drug discovery offers a promising route to new chemicals entities. |
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| Graffinity's
fragment and leadlike compound library |
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Better starting points for chemistry
• higher binding efficiency
• more room for medicinal chemistry
• clearer structure activity
relationships
• opportunity for novelty due to low
affinity detection window
More
efficient screening
• higher hit probability
• better relative coverage of chemical
space
• lower upfront needs for reagents and
synthesis |
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Fragment Space
 23,000 Fragments
100 - 300 Da
Leadlike
Space
113,000 Displayed Fragments
mean 320 Da |
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