以ALS为靶标的新型除草剂的分子设计、合成及生物活性研究——Ⅷ.Hansch方法与CoMFA方法相结合研究稠杂磺酰胺类除草剂的构效关系  

Design, Syntheses and Biological Activity of Novel Herbicides Targeting ALS VIII . Studies on Structure - Activity Relationships of Fused Heterocyclic Sulfonamide Herbicides Combined Hansch Analyses and CoMFA Method

作　　者：杨光富 刘华银[1] 杨秀凤[1] 杨华铮[1] 

机构地区：[1]南开大学元素有机化学研究所元素有机化学国家重点实验室,天津300071

出　　处：《化学学报》1999年第7期706-711,共6页Acta Chimica Sinica

基　　金：国家自然科学基金(29832050)资助项目

摘　　要：采用Hansch方法和CoMFA方法从二维及三维空间上对三唑并嘧啶磺酰胺类除草剂的结构与活性关系进行了系统研究,结果发现化合物的立体及电学性质对除草活性有重要影响.化合物要保持高活性需满足合适的立体要求及酸性.此外,研究工作表明Hansch方法和CoMFA方法在一起使用可以更好地反映出药物分子的构效关系.Two dimensional and three dimensional structure - activity relationships of herbicidal triazolopyrimidinyl sulfonamides were studied using Hansch and CoMFA method. The results show that the electronic property and stereo - structure have an important impact on the herbicidal activity. A suitable acidity and steric effect were required for higher activity. Furthermore, the studies also indicate that application Hansch and CoMFA method simultaneously can reflect more completely the structure -activity relationships of drug molecules.

关 键 词：QSAR COMFA 稠杂磺酰胺 构效关系 除草剂 

分 类 号：TQ457.29[化学工程—农药化工] TQ450.11