Rational design of a nonpeptide general chemical scaffold for reversible inhibition of PDZ domain interactions

…, KAP Novak, RM Gage, N Pedemonte, D Stokoe…

文献索引：Fujii, Naoaki; Haresco, Jose J.; Novak, Kathleen A.P.; Gage, Robert M.; Pedemonte, Nicoletta; Stokoe, David; Kuntz, Irwin D.; Kiplin Guy Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 2 p. 549 - 552

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被引用次数: 31

摘要

Novel small molecules were designed to specifically target the ligand-binding pocket of a PDZ domain. Iterative molecular docking and modeling allowed the design of an indole scaffold 10a as a reversible inhibitor of ligand binding. The 10a scaffold inhibited the interaction between MAGI-3 and PTEN and showed cellular activities that are consistent with the inhibition of NHERF-1 function.