新型钾离子通道开放剂的QSAR研究

The Studis on Pharmacophore Model of New ATP sentisitive K^+ Channel Opener with PARM

通过对已知的钾离子通道开放剂的研究和PARM法的计算 ,建立了一个具有较好预报能力的钾离子通道开放剂药效团模型 ,并对从结构骨架与模型训练集分子具有较大差异的新型钾离子通道开放剂进行了有效的预报。

The biophore model of KCO (K+ Channel Openners, KCOs) was obtained by using the PARM (Pseudo Atomic Receptor Model). On the basis of the identified biophore model, the activities of some KCO with new structure was predicted and the most of predictions were in good agreement with the experiments. The quality of the biophore has been proved to be reliable. This research suggests a new approach for designing the new series of KCO.