Korean Journal of Agricultural Science (농업과학연구)

Institute of Agricultural Science, CNU (충남대학교 농업과학연구소)
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The Structural Chracteristics That Influence on the fungicidal activity of N-Phenylbenzenesulfonamide Derivatives against Dapping-off (Pythium ultimum)

모잘록병균(Pythium ultimum)에 대한 N-Phenylbenzenesulfonamide 유도체의 살균활성에 미치는 구조적 특성

  • Cho, Yun-Gi (Division of Applied Biology, Chemistry & Food Sciences, College of Agriculture and Life Sciences, Chungnam National University) ;
  • Chang, Ki-Woon (Division of Applied Biology, Chemistry & Food Sciences, College of Agriculture and Life Sciences, Chungnam National University) ;
  • Sung, Nack-Do (Division of Applied Biology, Chemistry & Food Sciences, College of Agriculture and Life Sciences, Chungnam National University)
  • 조윤기 (충남대학교 농업생명과학대학 응용생물환경화학식품학부) ;
  • 장기운 (충남대학교 농업생명과학대학 응용생물환경화학식품학부) ;
  • 성낙도 (충남대학교 농업생명과학대학 응용생물환경화학식품학부)
  • Published : 2008.06.30
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Abstract

The structural characteristics that influence on the fungicidal activities of N-phenylbenzenesulfonamide (1~24) and N-phenyltheinylsulfonamide (25~30) derivatives against Dampping-off (Pythium ultimum) were discussed quantitatively using the models of molecular holographic quantitative structure-activity relationships (HQSAR). From the based on these findings, the statistical results of the optimized HQSAR F-3 model showed better predictablity ($r^2_{cv.}$ or $q^2=0.581$) and correlation coefficient ($r^2_{ncv.}=0.963$). And, from the analytical results of the atomic contribution maps on the fungicidal activities, the most active compound is $R_1=2-fluoro-4-chloro$ substituent (4) and the most inactive one is $R_1=4-methoxy$ substituent (20). It was found that the 2-fluoro-4-chlorophenyl group as a $R_1$-group was an important structure and a characteristic factor not only for herbicidal activity but also for fungicidal activity.

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