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Xiaodong Zhang, Jiang Wang, Mingbo Su, Zeng Li, Jingya Li, Jia Li and Hong Liu Discovering Novel α-aminoacyl-Containing Proline Derivatives with Potent and Selective Inhibitory Activity Against Dipeptidyl Peptidase IV: Design, Synthesis, Biological Evaluation, and Molecular Modeling Chemical Biology & Drug Design 80

Version of Record online: 12 OCT 2012 | DOI: 10.1111/j.1747-0285.2012.01438.x

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A series of novel α-aminoacyl containing proline analogs with the S configuration were designed, synthesized, and their activity profiled. Five compounds were shown to have promising inhibitory activities against DPP IV, compounds 8Aa and 8Aj inhibited DPP IV with IC50 values of 4.56 and 8.4 μm respectively and displayed no inhibition at other DPPs. The possible binding modes of compounds 6, 7, 8Aa, and 8Aj with DPP IV were also explored by molecular docking simulation.

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