王建国, 马翼, 赵卫光, 李正名, 韩嘉祥. 1,3-氮硫杂环化合物防治芦笋茎枯病的QSAR研究[J]. 农药学学报, 2002, 4(2): 35-39.
    引用本文: 王建国, 马翼, 赵卫光, 李正名, 韩嘉祥. 1,3-氮硫杂环化合物防治芦笋茎枯病的QSAR研究[J]. 农药学学报, 2002, 4(2): 35-39.
    WANG Jian-guo, MA Yi, ZHAO Wei-guang, LI Zheng-ming, HAN Jia-xiang. QSAR Study on Fungicidal Activity of 1,3-Nitrogen, Sulphur Heterocyclic Compounds against Ascochyta as Paraginsa[J]. Chinese Journal of Pesticide Science, 2002, 4(2): 35-39.
    Citation: WANG Jian-guo, MA Yi, ZHAO Wei-guang, LI Zheng-ming, HAN Jia-xiang. QSAR Study on Fungicidal Activity of 1,3-Nitrogen, Sulphur Heterocyclic Compounds against Ascochyta as Paraginsa[J]. Chinese Journal of Pesticide Science, 2002, 4(2): 35-39.

    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

    • 摘要: 用比较分子力场分析(CoMFA)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QSAR模型为进一步合成更高活性的化合物提供了指导。

       

      Abstract: 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.

       

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