| 具有除草活性的甘氨酰肼二酰基衍生物的构效关 |
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| 引用本文： | 吁松瑞, 薛思佳, 任天瑞, 黄迎, 姚建华. 具有除草活性的甘氨酰肼二酰基衍生物的构效关[J]. 上海师范大学学报(自然科学版), 2009, 38(3): 271-275 |
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| 作者姓名： | 吁松瑞 薛思佳 任天瑞 黄迎 姚建华 |
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| 作者单位： | 1. 上海师范大学,生命与环境科学学院,上海,200234
2. 中国科学院上海有机化学研究所,计算机化学和化学信息学研究室,上海,200032 |
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| 基金项目： | 国家自然科学基金，上海市重点学科建设项目，国家重点基础研究发展规划(973计划) |
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| 摘 要： | 利用化合物的物理化学参数,如空间构象参数、油水分配系数等,对已合成的18个甘氨酰肼二酰基衍生物进行了结构与活性关系的初步研究.结果表明:18个化合物的亲脂性和空间结构对其除草活性具有重要的影响.研究结果对甘氨酰肼类化合物的改性或新类似物的合成具有一定指导意义.
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| 关 键 词： | 甘氨酰肼 酰基衍生物 除草活性 构效关系 |
Research on the structure/activity relationship of herbicidal glycine hydrazides derivatives |
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| YU Song-rui,XUE Si-jia,REN Tian-rui,HUANG Ying,YAO Jian-hua. Research on the structure/activity relationship of herbicidal glycine hydrazides derivatives[J]. Journal of Shanghai Normal University(Natural Sciences), 2009, 38(3): 271-275 |
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| Authors: | YU Song-rui XUE Si-jia REN Tian-rui HUANG Ying YAO Jian-hua |
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| Affiliation: | 1.College of Life and Environment Sciences;Shanghai Normal University;Shanghai 200234;China;2.Lab of Department of Computer Chemistry and Chemoinformatics;Shanghai Institute of Organic Chemistry;Chinese Academy of Sciences;Shanghai 200032;China |
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| Abstract: | The relationship between the structure of the eighteen glycine hydrazides derivatives synthesized previously and their herbicidal activity was analyzed by using the physicochemical parameters of the compounds such as conformation parameters,octanol-water partition coefficients.Both the hydrophobic parameter and the spatial structure of the compounds stronly affected the herbicidal activity,which offered important structural insights into designing highly active compounds prior to their synthesis. |
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| Keywords: | glycine hydrazides acyl derivatives herbicidal activity structure/activity relationship |
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