Synthesis and structure of the β-carboline derivatives and their binding intensity with cyclin-dependent kinase 2

Y Wang, Q Jin, G Lin, T Yang, Z Wang, Y Lu…

Index: Wang, Yue; Jin, Qiaomei; Lin, Guowu; Yang, Taotao; Wang, Zhanwei; Lu, Yi; Tang, Yimin; Liu, Lifang; Lu, Tao Chemical and Pharmaceutical Bulletin, 2012 , vol. 60, # 4 p. 435 - 441

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Citation Number: 5

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 ...