Synthesis and structure of the β-carboline derivatives and their binding intensity with cyclin-dependent kinase 2
Yue Wang1, Qiaomei Jin, Guowu Lin
1State Key Laboratory of Natural Medicines, China Pharmaceutical University.
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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