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Comparative molecular field analysis (CoMFA) of new herbicidal sulfonylurea compounds

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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.

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Authors and Affiliations

  1. Elemento-Organic Chemistry Institute, State Key Laboratory of Elemento-Organic Chemistry, Nankai University, 300071, Tianjin, China

    Liu Jie, Li Zhengming, Wang Xia, Ma Yi, Lai Chengming, Jia Guofeng & Wang Lingxiu

Authors
  1. Liu Jie
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  2. Li Zhengming
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  3. Wang Xia
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  4. Ma Yi
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  5. Lai Chengming
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  6. Jia Guofeng
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  7. Wang Lingxiu
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Additional information

Project supported by the National Natural Science Foundation of China (Granted No. 29772679) and the State Key Laboratory of Elemento-Organic Chemistry

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Liu, J., Li, Z., Wang, X. et al. Comparative molecular field analysis (CoMFA) of new herbicidal sulfonylurea compounds. Sc. China Ser. B-Chem. 41, 50–53 (1998). https://doi.org/10.1007/BF02875556

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  • DOI: https://doi.org/10.1007/BF02875556

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