일련의 새로운 N-[1-(benzotriazol-1-yl)-X-치환-aryl]-Y-치환-arylamine 유도체를 합성하고 Pyricularia oryzae, Fusarium oxysporum f. sp. sesami, Valsa ceratosperma 및 Botrytis cinerea에 대한 항균활성$(pI_{50})$을 한천 희석법으로 측정하여 정량적인 구조-활성 관계$(QSAR_S)$를 분석한 바, X 및 Y-치환기들의 ${pi}$와 ${sigma}$ 및 $M_R$ 파라미터가 항균 활성을 결정하는 중요한 요소이었다. 4-bromo 치환체(1d 및 2b)가 항균활성이 제일 큰 화합물이었으며, 중성 pH에서 1의 가수분해 반응에 대한 반감기$(T_{1/2})$는 약 1.5일 이었다. 기질 화합물의 분자궤도(MO) 함수와 항균 반응에 대한 자유에너지 관계$(LFER_S)$ 그리고 분자 설계의 결과들이 검토되었다.
A series of new N-[1-(benzotriazol-1-yl)aryl]arylamine derivatives were synthesized and their antifungal activities $(pI_{50})$ in vitro against Pyricularia oryzae, Fusarium oxysporum f. sp. sesami, Valsa ceratosperma and Botrytis cinerea were dertermined by the agar medium dilution method. From the results of the quantitative structure-activity relationships $(QSAR_S)$ analysis, $hydrophobicity({pi})$, $electronic({Sigmasigma})$ and molar $refractivity({Sigma}M_R)$ parameter of X & Y-substituents on the phenyl group were also shown to be important factor in determining the variation in the antifungal activity. 4-Bromo group substituents (1d & 2b) were the most effective compounds and the $half-life(T_{1/2})$ on the hydrolysis of X(1) at netural pH was about 1.5 day. Molecular orbital(MO) functions of substrate compound, linear free energy relationships$(LFER_S)$ on the antifungal reactivity arid the results of molecular design were also discussed.
