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采用比较分子力场分析方法研究了磺酰脲和三唑并嘧啶-2-磺酰胺类除草剂的三维定量结构活性关系,发现分子周围的立体场和静电场对化合物的除草活性有重要的影响.在对上述两类化合物进行成功叠加的基础上,进一步将两类化合物放在一起进行了比较分子力场分析,结果表明这两类化合物与受体间的相互作用具有共同的结合区域.
The molecular structure of sulfonylurea and triazolopyrimidine-2-sulfonamide herbicides were studied by means of comparative molecular force field analysis. The results showed that the three-dimensional and electrostatic fields around the molecule had an important influence on the herbicidal activity of the compounds . Based on the successful superposition of the above two compounds, the two compounds were further put together for comparative molecular force field analysis. The results show that the interaction between the two compounds and the receptor have a common binding region.