Design, synthesis and bioactivity of novel ALS inhibitors (V)
- 43 Downloads
By means of the X-ray diffraction method, quantum pharmacology analysis and quantitative structure-activity relationships (QSAR) analysis, the structure-activity relationships of the herbicidal sulfonylureas and fused heterocyclic sulfonamides were systematically studied. The results showed that the structure-activity relationships of these two kinds of herbicides were identical and that the heterocyclic ring and sulfonyl moiety in the molecules were their pharmacophores which likely bind in the same receptor sites of acetolactate synthase (ALS). According to these results, the initial model of these two kinds of herbicides binding with the receptor was put forward.
Keywordssulfonylurea fused heterocyclic sulfonamide X-ray diffraction quantum pharmacology QGAR ALS
Unable to display preview. Download preview PDF.
- 1.Kleschick, W. A., Ehr, R. J., Gerwich III, B. C., Substituted 1,2,4-triazolo[l,5-a]pyrimidine-2-sulfonamides and compounds and composition and methods of controlling undesired vegetation and the nitrification of ammonium nitrogen in soil,Eur. Pat. Appl. EP, 142 152, 1985-05-22.Google Scholar
- 2.Lu, R. J., Yang, H. Z., Shang, Z. F. et al., Design, synthesis, and bioactivity of novel ALS enzyme inhibitors (II): Molecular mechanics, quantum chemistry and structure-activity relationships studies on the herbicidal heterocyclic sulfonamides,Science in China, Ser. B, 1996, 39(1): 78.Google Scholar
- 3.Li, Z. M., Jia, G. F., Wang, L. X. etal., Synthesis, structure and SAR study on sulfonylurea compounds (I): Crystal and molecular structure of N-(2-pyrimidinyl)-2-ethyl carboxylate-benzene sulfonylurea,Chem. J. Chin. Univ. (in Chinese), 1992, 13(11): 1411.Google Scholar
- 5.Lu, R. J., Studies on design, synthesis and bioactivity of novel ALS inhibitors,Doctoral Thesis of Nankai University (in Chinese), 1994, Tianjin.Google Scholar
- 9.Yang, G. F., Studies on QSAR of ALS inhibitors and design, synthesis and bioactivity of new herbicides,Doctoral Thesis of Nankai University (in Chinese), 1997, Tianjin.Google Scholar
- 10.Hansch, C., Leo, A.,Substituent Constants for Correlation Analysis in Chemistry and Biology, New York: Wiley-Interscience, 1979.Google Scholar
- 11.Fujita, T., Nishioka, T., The analysis of the ortho effect,Progress Physic. Org. Chem., 1976, 12: 56.Google Scholar