Inhibitors fragment-based design

Perhaps the most famous examples of using NMR in inhibitor discovery is the approach termed SAR by NMR, introduced as early as 1996 [41], a fragment-based design type of approach, as discussed above. It involves the monitoring of protein-ligand binding with or N chemical shift of amide... 

Clicked HDAC inhibitors A fragment-based design... 

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. 

In a recent study on the scaffold-hopping potential of fragment-based de novo design, among ACE inhibitors known lead structures 397b and... 

Aronov, A. M. and Bemis, G. W., A minimalist approach to fragment-based ligand design using common rings and linkers application to kinase inhibitors. Proteins, 2004, 57, 36-50. 

SAR-by-NMR represents a very intuitive way of rational, fragment-based drug design. Two or more independently optimized ligands of different binding sites are combined to give a high-affmity binder. The example presented here deals with the development of a selective inhibitor for the protein tyrosine phosphatase IB (PTPlB).6i... 

Friberg A, Vigil D, Zhao B et al (2013) Discovery of potent myeloid cell leukemia 1 (mcl-1) inhibitors using fragment-based methods and structure-based design. J Med Chem 56 15-30... 

---