Korean Journal of Agricultural Science (농업과학연구)

Institute of Agricultural Science, CNU (충남대학교 농업과학연구소)
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Design of the New Insecticidal Active Molecule against Diamond-Back Moth (Plutella Xylostella Linnaeus)

배추좀나방(Plutella Xylostella Linnaeus)에 대한 새로운 살충활성 분자의 설계

  • Cho, Yun-Gi (Division of Applied Biology, Chemistry & Food Science, College of Agriculture and Life Sciences, Chungnam National University) ;
  • Choi, Woo-Young (Division of Applied Biology, Chemistry & Food Science, College of Agriculture and Life Sciences, Chungnam National University) ;
  • Sung, Nack-Do (Division of Applied Biology, Chemistry & Food Science, College of Agriculture and Life Sciences, Chungnam National University)
  • 조윤기 (충남대학교 농업생명과학대학 응용생물환경화학식품학부 생물환경화학전공, 유기합성 및 생물활성제어실험실) ;
  • 최우영 (충남대학교 농업생명과학대학 응용생물환경화학식품학부 생물환경화학전공, 유기합성 및 생물활성제어실험실) ;
  • 성낙도 (충남대학교 농업생명과학대학 응용생물환경화학식품학부 생물환경화학전공, 유기합성 및 생물활성제어실험실)
  • Published : 2007.12.31
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Abstract

The new insecticidal active molecules from the based on the holographic quantitative structure-activity relationships (HQSAR) between a series of $1-(R_1)-2-(n-octyl)-3-(R_2)$, $3-(R_3)-pseudothiourea$ derivatives and their insecticidal activities against Diamond-back moth (Plutella Xylostella Linnaeus) were designed and discussed quantitatively. The most active molecule from the based graphical analyses of atomic contribution maps with the optimized HQSAR C-1 model ($q^2=0.764$ & $r^2{ncv}=0.942$) was 1-(n-butyl)-2-(t-butyl)-3,3-diisopropylpseudothiourea (P1: $pI_{50}=5.30$, $IC_{50}=1.397ppm$). Therefore, it is suggested that the new designed molecule would increased the activity as much as 23.5 times as compared to X=n-octyl substituent 17($pI_{50}=4.00$, $IC_{50}=32.86ppm$) which was the highest active molecule in training set compounds.

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