Target proteins small molecule data

Ross A, Schlotterbeck G, Klaus W et al (2000) Automation of NMR measurements and data evaluation for systematically screening interactions of small molecules with target proteins. JBiomol NMR 16 139-146... 

The 1990s witnessed an intensive effort to develop small-molecule inhibitors of FTase, which eventually provided proof of concept for this target in preclinical models. Although the original hypothesis envisioned inhibitors that selectively depleted farnesylated Ras proteins from tumor cell membranes, the emerging data on FTIs indicated mechanisms which were subtle and more complex (for a review, see [13]). 

Structural information and computational methods have considerable potential in supporting the transformation of bioactive peptides into small molecules. Of major importance is combining all available information on the system of interest, including peptide SAR data, information on the consequences of mutations in the target on SAR, structural information from both the target protein and related proteins as well as the particular ligand and all other known ligands. 

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