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3D-QSARs Analysis on the Fungicidal Activity with N-phenylbenzenesulfonamide Analogues against Fusarium wilt (Fusarium oxysporum)  

Soung, Min-Gyu (Division of Applied Biology and Chemistry, College of Agriculture and Life Science, Chungnam National University)
Hwang, Tae-Yeon (Division of Applied Biology and Chemistry, College of Agriculture and Life Science, Chungnam National University)
Kang, Kyu-Young (Division of Applied Life Science, Gyeongsang National University)
Sung, Nack-Do (Division of Applied Biology and Chemistry, College of Agriculture and Life Science, Chungnam National University)
Publication Information
Applied Biological Chemistry / v.51, no.1, 2008 , pp. 38-43 More about this Journal
Abstract
3D-QSARs on the fungicidal activity with N-phenylbenzenesulfonamide and N-phenyl-2-thienylsul-fonamide analogues (1-34) against Fusarium wilt (Fusarium oxysporum) were discussed quantitatively using CoMFA (comparative molecular field analysis) and CoMSIA (comparative molecular similarity indices analysis) methods, respectively. Generally, the CoMFA models have better predictability and fitness than the CoMSIA models. The fungicidal activities, according to the information of the optimized CoMF A 2 model $(r^2\;_{cv.}=0.523\;&\;r^2\;_{ncv.}=0.956)$, were dependent on the electrostatic field of the N-phenylbenzenesulfonamide analogues. Therefore, from the results of graphical analyses on the contour maps with the optimized CoMFA 2 model, it is expected that the characters of $R_4-substituents$ on the N-phenyl ring as steric and positive charge favor will contribute to the fungicidal activity against Fusarium wilt.
Keywords
CoMPA; CoMSIA; fungicidal activity; fusarium wilt (Fusarium oxysporum); N-phenylbenzenesulfonamide; N-phenyl-2-thienylsulfonamide; 3D-QSAR;
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