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苯甲醛类、苯甲酸类和苯甲醛缩氨基硫脲类昆虫酚氧化酶抑制剂的2D-QSAR研究
Alternative Title2D-QSAR Studies of Benzaldehyde, Benzoic Acid, Benzaldehyde Thiosemicarbazone, and their Derivatives as Insect Phenoloxidase Inhibitors
Xue Chaobin1; Ding Qi2; Luo Wanchun3; Jiang Lin3
2008
Source Publication农药学学报
ISSN1008-7303
Volume10.0Issue:003Pages:275-281
Abstract采用Hansch—Fujita的定量构效关系方法,以电性参数(Hammet σ)、疏水性参数(clogP)、立体效应参数(MR)、氢键受体和供体等物理化学参数作为变量,对苯甲醛衍生物、苯甲酸衍生物和苯甲醛缩氨基硫脲衍生物进行了构效关系研究。结果表明,苯甲酸衍生物和苯甲醛缩氨基硫脲衍生物的结构与活性的关系非常相似。在此三类化合物中,氢键受体、立体效应(MR)参数和疏水效应(clogP)参数是影响化合物抑制活性的最主要因子。
Other AbstractThe quantitative relationship between the structure of benzaldehyde derivatives, benzoic acid derivatives, benzaldehyde thiosemicarbazone derivatives, and their inhibitory activities against phenoloxidase (PO) from Pieris rapae larvae were analyzed using Hansch-Fujita approach. The chemical descriptors, including electronic ( Hammett σ), hydrophobic ( clogP), steric (MR) parameters, hydrogen bond acceptor and donor, were employed. The two-dimensional quantitative structure-activity relationship (2D-QSAR) results revealed that the structure-activity relationships of benzoic acid derivatives were similar with that of benzaldehyde thiosemicarbazone derivatives. The hydrogen bond acceptor,steric (MR) and hydrophobic (clogP) parameters were the significant factors on determining activity of the three sets of compounds.
Keyword构效关系 酚氧化酶抑制剂 苯甲醛缩氨基硫脲衍生物 苯甲醛衍生物 苯甲酸衍生物
Indexed ByCSCD
Language中文
CSCD IDCSCD:3401674
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/152910
Collection中国科学院金属研究所
Affiliation1.College of Plant Protection,Shandong Agricultural University
2.中国科学院金属研究所
3.山东农业大学
Recommended Citation
GB/T 7714
Xue Chaobin,Ding Qi,Luo Wanchun,等. 苯甲醛类、苯甲酸类和苯甲醛缩氨基硫脲类昆虫酚氧化酶抑制剂的2D-QSAR研究[J]. 农药学学报,2008,10.0(003):275-281.
APA Xue Chaobin,Ding Qi,Luo Wanchun,&Jiang Lin.(2008).苯甲醛类、苯甲酸类和苯甲醛缩氨基硫脲类昆虫酚氧化酶抑制剂的2D-QSAR研究.农药学学报,10.0(003),275-281.
MLA Xue Chaobin,et al."苯甲醛类、苯甲酸类和苯甲醛缩氨基硫脲类昆虫酚氧化酶抑制剂的2D-QSAR研究".农药学学报 10.0.003(2008):275-281.
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