Synthesis and Structure of the β-Carboline Derivatives and Their Binding Intensity with Cyclin-Dependent Kinase 2

Yue Wang; Qiaomei Jin; Guowu Lin; Taotao Yang; Zhanwei Wang; Yi Lu; Yimin Tang; Lifang Liu; Tao Lu

doi:10.1248/cpb.60.435

Regular Articles

Synthesis and Structure of the β-Carboline Derivatives and Their Binding Intensity with Cyclin-Dependent Kinase 2

Yue Wang, Qiaomei Jin, Guowu Lin, Taotao Yang, Zhanwei Wang, Yi Lu, Yimin Tang, Lifang Liu, Tao Lu

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Keywords: cyclin-dependent kinase 2, β-carboline, synthesis, molecular docking, fluorescence

JOURNAL FREE ACCESS

2012 Volume 60 Issue 4 Pages 435-441

DOI https://doi.org/10.1248/cpb.60.435

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Abstract

Series of 3-substituted of 6-aminosulfonyl-β-carbolines were designed and synthesized. In addition, the binding mode of these β-carboline derivatives with cyclin-dependent kinase 2 (CDK2) was studied by means of fluorescence measurements and molecular docking calculation. The results showed that replacement of 3-cyclohexylmethoxy group will increase the hydrophobic binding interaction with the deep hydrophobic pocket of CDK2 correlate to the higher binding intensity.

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