Advertisement

Science in China Series B: Chemistry

, Volume 41, Issue 1, pp 50–53 | Cite as

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

  • Liu Jie 
  • Li Zhengming 
  • Wang Xia 
  • Ma Yi 
  • Lai Chengming 
  • Jia Guofeng 
  • Wang Lingxiu 
Article

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 

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    Li Zhengming, Chemistry of novel bio-regulating substances,J. Pesticide Science, 1996, 21(1): 124.Google Scholar
  2. 2.
    CramerR. D. III, Patterson, D.E., Bunce, J.D., Comparative molecular field analysis (CoMFA), 1: Effect of shape on binding of steroids to carrier proteins,J. Am. Chem. Soc., 1988, 110: 5959.CrossRefGoogle Scholar
  3. 3.
    FranzJ. E., Osuch, C., The reactions of sulfonamides with oxalyl chloride,J. Org. Chem., 1964, 29: 2592.CrossRefGoogle Scholar
  4. 4.
    Levitr, G., Herbicidal sulfonamides,U.S. Pat. 4 127 405, 1978.Google Scholar
  5. 5.
    Swanson, C. P., A simple bioassay method for the determination of low concentration of 2, 4-D in aqueous solutions,Bot. Gaz., 1946, 107: 507.CrossRefGoogle Scholar
  6. 6.
    Ready, D., Gramt, V. O., A rapid sensitive method for determination of low concentration of 2, 4-D in aqueous solution,Bot. Gaz., 1947, 109: 39.CrossRefGoogle Scholar
  7. 7.
    LiZhengming, Jia Guofeng, Lai Chengming et al., Syntheses, structure and SAR study on new sulfonylurea compounds (I)—Crystal and molecular structure of N-(2′-pyrimidinyl)-2-ethyl carboxylatebenzene sulfonylurea,Chem. J. Chinese Unlv. (in Vhinese), 1992, 13(11): 1411.Google Scholar

Copyright information

© Science in China Press 1998

Authors and Affiliations

  • Liu Jie 
    • 1
  • Li Zhengming 
    • 1
  • Wang Xia 
    • 1
  • Ma Yi 
    • 1
  • Lai Chengming 
    • 1
  • Jia Guofeng 
    • 1
  • Wang Lingxiu 
    • 1
  1. 1.Elemento-Organic Chemistry Institute, State Key Laboratory of Elemento-Organic ChemistryNankai UniversityTianjinChina

Personalised recommendations