期刊论文

Yang, GF（杨光富）

中文

化学学报

0567-7351

2002

60

1

134-138

10.3321/j.issn:0567-7351.2002.01.024

国家自然科学基金（No.29802002）； 教育部骨干教师资助计划（GG-150-10511-1005）； 湖北省自然科学基金（No.98J045）； 武汉市青年科技晨光计划资助课题.；

本校为第一且通讯机构

为开发新型环境友好杀菌剂，选择了黄烷酮类植物抗毒素为先导，利用生物等排取代原理对其结构进行修饰，设计合成了23个未见文献报道的2-杂环芒基苯并二氢吡喃-4-酮类化合物，并系统测定了所有化合物对水稻稻瘟病抑制活性的IC_(50)值。在此基础上，采用CoMFA方法对它们进行了三维定量结构活性关系研究，系统考查了网格结构、探针以及场类型对CoMFA结果的影响。研究结果表明，苯并二氢吡喃-4-酮苯环5，6，7位上应该引入一些体积较小且具有强供电子能力的取代基有利于提高化合物的杀菌活性。CoFMA分析对7位氧原子和19位氧原子的电性要求与前文采用Hansch-Fujita方法的分析结果是相一致的。

In order to develop novel fungicides, the structure of flavanane phytoalexins was modified in view of bioisosterism and 23 novel title compounds, 2-heteroaryl-4-chromanones, were designed and synthesized, whose structures were confirmed by 1H NMR, MS and elemental analyses. The fungicidal IC50 in vitro against rice blast disease of the title compounds were measured and the quantitative relationship between the structures and fungicidal activities was established using the comparative molecular field analysis (CoMFA) approach. The results of 3D-QSAR analysis suggested that the introduction of s...