光系统II抑制剂的三维构效关系和相关性研究

3D-QSAR and Correlationship Studies of Photosystem II Inhibitors

光系统II (PSII)抑制剂要导致PSII反应中心的电子传递受阻 ,被认为是重要的除草剂。近年来发现许多化合物都有希尔反应抑制活性。本文利用比较分子场分析方法 ,在药效团模型基础上 ,对不同系列的光系统II抑制剂的结构和活性关系进行了分析和讨论。

Photosystem II (PS II) inhibitors are considered to be important herbicides which act by blocking the electron transportation close to PS II reaction center. Recently, many compounds have been found to have activities of Hill Reaction. Several series of photosystem II inhibitors are investigated based on obtained pharmaceutical model using the comparative molecular field analysis (CoMFA). The correlationships between experience data and predicted activities are also discussed.