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NMR & Fragment screening
 Technologies &
Capabilities
Fragment Screening
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| Setting up a NMR experiment |
Fragment-based screening involves the binding of low molecular weight compounds, known as ‘fragments’, to the active site of a protein drug target. Such fragments are much smaller than compounds used in traditional high throughput screening, allowing extensive sampling of chemical space with relatively few members in the screening library. S*BIO’s diverse fragment library was designed to identify novel inhibitors of the target protein quickly. The fragments were carefully selected by the in-house medicinal chemists after passing through a series of chemical filters set by the computational group.
Fragment hits in S*BIO are identified following an NMR screen with biochemical assay follow-up. Information from the NMR experiment combined with structure guided drug design allows the design of more potent analogues either via linking, merging or growing.
In this way, better leads for medicinal chemistry optimization are identified, which, in turn, provide good quality preclinical development candidates.
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| Fragment screening helps in getting novel patentable leads in a short time. The picture shows how a fragment is grown in the target binding site. In two steps the binding affinity of this fragment was increased 100 fold. |
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