苯甲醛类、苯甲酸类和苯甲醛缩氨基硫脲类昆虫酚氧化酶抑制剂的2d-qsar研究.pdfVIP

农药学学报 　2008, 10 ( 3) : 27528 1 C h in ese J ou rna l of P estic ide Sc ience ·R esearch R ep orts · 2D QSAR Stud ies of Benza ldehyde, Benzo ic Ac id, Benza ldehyde Th iosem icarbazone, and the ir D er iva tives a s In sect Phenolox ida se Inh ib itors 1 2 1 3 XU E C haob in , 　D IN G Q i , 　LU O W an chun , 　J IAN G L in ( 1. C o llege of P lan t P ro tection, Key L abora to ry of P estic ide Toxico logy and App lica tion Techn ique, Shandong A gr icu ltu ra l U n iversity, Ta i ′an 271018, Shandong P rovince, Ch ina; 2. Sa fety Eva lua tion C en ter, Shenyang Resea rch Institu te of Chem ica l Industry, Shenyang 110021, Ch ina; 3. C o llege of Chem istry and M a ter ia l Sc ience, Shandong A gr icu ltu ra l U n iversity, Ta i ′an 271018, Shandong P rovince, Ch ina ) Abstract: The quan titative re lationsh ip betw een the structu re of benza ldehyde derivatives, benzo ic ac id derivatives, benza ldehyde th iosem icarbazone derivatives, and the ir inh ib ito ry activ ities aga inst p heno lox idase ( PO ) from P ier is rap a e larvae w ere ana lyzed u sing H ansch Fuj ita app roach. The chem ica l descrip tors, inc lud ing e lec tron ic (H amm ett σ) , hydrop hob ic ( c logP ) , steric (M R ) p aram eters, hydrogen bond accep tor and dono r, w ere em p loyed. The tw od im ensiona l quan titative structu reac tiv ity re lationsh ip ( 2D Q SA R ) resu lts revea led that the structu reactiv ity re lationsh ip s of benzo ic ac id derivatives w ere sim ilar w ith that of benza ldehyde th iosem icarbazone derivative