Privileged molecules for protein binding identified from NMR-based screening.
Related Articles Privileged molecules for protein binding identified from NMR-based screening.
J Med Chem. 2000 Sep 7;43(18):3443-7
Authors: Hajduk PJ, Bures M, Praestgaard J, Fesik SW
A statistical analysis of NMR-derived binding data on 11 protein targets was performed to identify molecular motifs that are preferred for protein binding. The analysis indicates that compounds which contain a biphenyl substructure preferentially bind to a wide range of proteins and that high levels of specificity (>250-fold) can be achieved even for these small molecules. These results suggest that high-throughput screening libraries that are enriched with biphenyl-containing compounds can be expected to have increased chances of yielding high-affinity ligands for proteins, and they suggest that the biphenyl can be utilized as a template for the discovery and design of therapeutics with high affinity and specificity for a broad range of protein targets.
PMID: 10978192 [PubMed - indexed for MEDLINE]
Source:
PubMed