喹啉腈类Src抑制剂的分子对接研究

Docking Studies of Quinolinecarbonitriles Acting as Src Inhibitors

应用分子对接确定喹啉腈类Src抑制剂在受体空腔中的三维活性构象,分析了配体与受体结合腔中关键残基的相互作用。本研究将为设计、合成高活性、高选择性的喹啉腈类Src抑制剂提供理论参考。

The appropriate binding orientations and conformations of quinolinecarbonitriles interacting with Src were revealed by the docking studies. These results help to understand the action mechanism and design novel potential Src inhibitors.