Libraries for NMR screening

Jacoby E, Davies J, Blommers MJ. Design of small molecule libraries for NMR screening and other applications in drug discovery. Curr Top Med Chem 2003 3(l) ll-23. 

R 53 E. Jacoby, J. Davies and M.J.J. Blommers, Design of Small Molecule Libraries for NMR Screening and Other Applications in Drug Discovery , p. 11... 

In both variants of the approach, i) and ii), the ligands detected in a NMR screen would be subjected to further modifications, and become larger during the design process. The properties of the compound library need to fulfill therefore a number of NMR-specific requirements. The compounds need to be soluble in water, their molecular properties should not exceed half the number that is defined in the Lipinski rules for molecular... 

The selection of compounds for an NMR screening library is dictated by its intended purpose. There are four basic types of libraries general screening, targeted, focused, and follow-up. 

There has been significant advancement in the applications of NMR to the development of small-molecule pharmaceutical products. For example, advances in NMR automation (e.g., flow-injection analysis) and directly coupled methods (e.g., LC-MS-NMR analysis) have made analysis and characterization of small-molecule drugs much easier.23 25 These improvements have helped chemists to develop and characterize small-molecule combinatorial libraries and to screen for active compounds.4 6 It is likely some of these techniques can also be used in biopharmaceutical product development. 

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