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N-phenylbenzenesulfonamide 유도체들에 의한 시들음병균(Fusarium oxysporum)의 살균활성에 관한 3D-QSARs 분석
성민규,황태연,강규영,성낙도 한국응용생명화학회 2008 Journal of Applied Biological Chemistry (J. Appl. Vol.51 No.1
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 (r2 cv.= 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. 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 (r2 cv.= 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.