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Fragment based screening

SCHEME 10.2 Hit development through fragment-based screening [Pg.252]

The following three Case Studies demonstrate the use of fragment-based screening to discover leads. [Pg.252]

Screening by NMR requires a 15N-labeled target, stromelysin in this case, that has a well-characterized [Pg.252]

FIGURE 10.3 Fragments with modest binding to stromelysin [Pg.253]

The effect of combining fragments can be examined energetically. KD values are equilibrium constants and [Pg.253]


E., and Mandine, E. SAR and X-ray -a new approach combining fragment-based screening and rational drug design application to the discovery of nanomolar inhibitors of src SH2. [Pg.369]

Schuffenhauer, A., Ruedisser, S., Marzinzik, A., Jahnke, W., Selzer, P., Jacoby, E. (2005) Library design for fragment based screening. Curr Top Med Chem 5, 751-762. [Pg.239]

Jhoti, H., Cleasby, A., Verdonk, M., Williams, G. (2007) Fragment-based screening using X-ray crystallography and NMR spectroscopy. Curr Opin Chem Biol 11, 485-493. [Pg.251]

Fragment-based screening can also identify more optimal matches (higher ligand efficiency) to the receptor without the need first to deconstruct a hit compound. [Pg.11]

Gill, A. (2004). New lead generation strategies for protein-kinase inhibitors - fragment based screening approaches. Mini-Reviews in Medicinal Chemistry 4, 301-11. [Pg.31]

Practical Aspects of Using NMR in Fragment-based Screening... [Pg.63]

Fragment-based screening (FBS) has attracted much attention in the pharmaceutical industry since its emergence 10 years ago and is now widely used as an alternative or complementary approach to traditional screening.111-61 The basic idea is to... [Pg.63]

Figure 4.2 Fhe workflow in a fragment-based screening project. Figure 4.2 Fhe workflow in a fragment-based screening project.
Unfortunately, it was very difficult to produce larger amounts of the target protein and the fragment-based screening project was stopped at this point. [Pg.91]


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Fragment-based virtual screening

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Screening Fragment

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