1,3-氮硫杂环化合物防治芦笋茎枯病的QSAR研究  

QSAR Study on Fungicidal Activity of 1,3-Nitrogen, Sulphur Heterocyclic Compounds against Ascochyta as Paraginsa

作　　者：王建国[1] 马翼[1] 赵卫光[1] 李正名[1] 韩嘉祥[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：《农药学学报》2002年第2期35-39,共5页Chinese Journal of Pesticide Science

基　　金：国家自然科学基金重点项目 (2 9832 0 5 0 );国家自然科学基金项目 (2 0 0 72 0 2 1)

摘　　要：用比较分子力场分析 (Co MFA)方法对三小类 1,3-氮硫杂环化合物防治芦笋茎枯病的定量构效关系进行了研究。分别研究了每一小类及综合的 QSAR模型 ,发现对于各小类 ,苯环上取代基的变化影响其活性 ,从整体来看 ,影响活性的因素则集中在杂环上。所得的The quantitative structure activity relationship of the fungicidal activities of three small sets of 1,3 nitrogen, sulphur heterocyclic compounds against Ascochyta as Paraginsa using comparative molecular field analysis(CoMFA) method was investigated. Separate studies of QSAR models on each small set of compounds and whole set of compounds were carried out. We found that for each small set of compounds, the change of substitution on the phenyl ring will affect the activity. While as a whole, the factors that have influence the activity focus on the heterocyclic ring. The QSAR models will give some guidance on synthesizing compounds with enhanced activities.

关 键 词：1 3-氮硫杂环化合物 COMFA QSAR 芦笋茎枯病 

分 类 号：S482.4[农业科学—农药学]