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KMID : 0903520080510010038
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Journal of the Korean Society of Agricultural Chemistry and Biotechnology
2008 Volume.51 No. 1 p.38 ~ p.43
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3D-QSARs Analysis on the Fungicidal Activity with N-phenylbenzenesulfonamide Analogues against Fusarium wilt (Fusarium oxysporum)
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Soung Min-Gyu
Hwang Tae-Yeon
Kang Kyu-Young
Seong Nak-Do
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Abstract
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3D-QSARs on the fungicidal activity with N-phenylbenzenesulfonamide and N-phenyl-2-thienylsulfonamide 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 CoMFA 2 model (r2cv.= 0.523 & r2 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 R4-substituents on the N-phenyl ring as steric and positive charge favor will contribute to the fungicidal activity against Fusarium wilt.
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KEYWORD
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CoMFA, CoMSIA, fungicidal activity, fusarium wilt (Fusarium oxysporum), N-phenylbenzenesulfonamide, N-phenyl-2-thienylsulfonamide
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