On March 15, 2013, Yu, Binxun; Huang, Zheng; Zhang, Min; Dillard, Darren R.; Ji, Haitao published an article.Safety of 2-Chloro-4-methyl-1-nitrobenzene The title of the article was Rational Design of Small-Molecule Inhibitors for β-Catenin/T-Cell Factor Protein-Protein Interactions by Bioisostere Replacement. And the article contained the following:
A new hot spot-based design strategy using bioisostere replacement is reported to rationally design nonpeptidic small-mol. inhibitors for protein-protein interactions. This method is applied to design new potent inhibitors for β-catenin/T-cell factor (Tcf) interactions. Three hot spot regions of Tcf for binding to β-catenin were quant. evaluated; the key binding elements around K435 and K508 of β-catenin were derived; a bioisostere library was used to generate new fragments that can match the proposed critical binding elements. The most potent inhibitor, with a mol. weight of 230, has a Kd of 0.531 μM for binding to β-catenin and a Ki of 3.14 μM to completely disrupt β-catenin/Tcf interactions. The binding mode of the designed inhibitors was validated by the site-directed mutagenesis and structure-activity relationship (SAR) studies. This study provides a new approach to design new small-mol. inhibitors that bind to β-catenin and effectively disrupt β-catenin/Tcf interactions specific for canonical Wnt signaling. The experimental process involved the reaction of 2-Chloro-4-methyl-1-nitrobenzene(cas: 38939-88-7).Safety of 2-Chloro-4-methyl-1-nitrobenzene
The Article related to beta catenin tcf protein interaction bioisostere structure activity preparation, Pharmacology: Structure-Activity and other aspects.Safety of 2-Chloro-4-methyl-1-nitrobenzene
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