Structural Biology-Inspired Discovery of Novel KRAS-PDEδ Inhibitors.
Basic Information
ID: ALA4028858
Journal: J Med Chem
Title: Structural Biology-Inspired Discovery of Novel KRAS-PDEδ Inhibitors.
Authors: Jiang Y, Zhuang C, Chen L, Lu J, Dong G, Miao Z, Zhang W, Li J, Sheng C.
Abstract: Structural biology is a powerful tool for investigating the stereospecific interactions between a protein and its ligand. Herein, an unprecedented chiral binding pattern was observed for inhibitors of KRAS-PDEδ interactions. Virtual screening and X-ray crystallography studies revealed that two enantiomers of a racemic inhibitor could bind at different sites. Fragment-based drug design was used to identify highly potent PDEδ inhibitors that can be used as promising lead compounds for target validation and antitumor drug development.
CiteXplore: 28929751
DOI: 10.1021/acs.jmedchem.7b01243
Patent ID: ┄