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Comparative molecular field analysis (CoMFA) of new herbicidal sulfonylurea compounds
引用本文:刘洁,李正名,王霞,马翼,赖城明,贾国锋,王玲秀. Comparative molecular field analysis (CoMFA) of new herbicidal sulfonylurea compounds[J]. 中国科学B辑(英文版), 1998, 41(1): 50-53. DOI: 10.1007/BF02875556
作者姓名:刘洁  李正名  王霞  马翼  赖城明  贾国锋  王玲秀
作者单位:Elemento|Organic Chemistry Institute,State Key Laboratory of Elemento|Organic Chemistry,Nankai University,Tianjin 300071,China
基金项目:ProjectsupportedbytheNationalNaturalScienceFoundationofChina (GrantedNo .2 9772 6 79)andtheStateKeyLabora toryofElemento OrganicChemistry
摘    要:
Sulfonylureaherbicideshavebeenusedforseveraldecades,whichpossessultralowdosage,lowmammaliantoxicityanddesirableenvironmentalproperties.TheykillweedsbyinhibitingtheactivityofALSenzymeoftheweedsanddestroyingthesynthesisofbranchchainaminoacid.Sincetheesta…

收稿时间:1997-06-11

Comparative molecular field analysis (CoMFA) of new herbicidal sulfonylurea compounds
Jie Liu,Zhengming Li,Xia Wang,Yi Ma,Chengming Lai,Guofeng Jia,Lingxiu Wang. Comparative molecular field analysis (CoMFA) of new herbicidal sulfonylurea compounds[J]. Science in China(Chemistry), 1998, 41(1): 50-53. DOI: 10.1007/BF02875556
Authors:Jie Liu  Zhengming Li  Xia Wang  Yi Ma  Chengming Lai  Guofeng Jia  Lingxiu Wang
Affiliation:(1) Elemento-Organic Chemistry Institute, State Key Laboratory of Elemento-Organic Chemistry, Nankai University, 300071 Tianjin, China
Abstract:
A series of new herbicidal sulfonylurea compounds were investigated aiming at developing a three dimensional quantitative structure activity relationship (3D QSAR) model using the CoMFA technique. On this base, some molecular structures were modified to improve their activities. A model of the target acetolactate syntheses (ALS) enzyme was established for the first time, which is useful to design and synthesis of new ALS enzyme inhibitor.
Keywords:CoMFA   3D QSAR   ALS enzyme   herbicidal sulfonylurea
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