Guo, Chuangxing published the artcileStructure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket, Application In Synthesis of 51656-68-9, the publication is Bioorganic & Medicinal Chemistry Letters (2014), 24(17), 4187-4191, database is CAplus and MEDLINE.
The design of potent Pin1 inhibitors has been challenging because its active site specifically recognizes a phospho-protein epitope. The de novo design of phosphate-based Pin1 inhibitors focusing on the phosphate recognition pocket and the successful replacement of the phosphate group with a carboxylate have been previously reported. The potency of the carboxylate series is now further improved through structure-based optimization of ligand-protein interactions in the proline binding site which exploits the H-bond interactions necessary for Pin1 catalytic function. Further optimization using a focused library approach led to the discovery of low nanomolar non-phosphate small mol. Pin1 inhibitors. Structural modifications designed to improve cell permeability resulted in Pin1 inhibitors with low micromolar anti-proliferative activities against cancer cells.
Bioorganic & Medicinal Chemistry Letters published new progress about 51656-68-9. 51656-68-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene, name is 3-(2,6-Dichlorophenyl)propanoic acid, and the molecular formula is C9H8Cl2O2, Application In Synthesis of 51656-68-9.
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