2D-QSAR Studies of Benzaldehyde,Benzoic Acid,Benzaldehyde

The quantitative relationship between the structure of benzaldehyde derivatives,benzoic acid derivatives,benzaldehyde thiosemicarbazone derivatives,and their inhibitory activities against phenoloxidase (PO) from Pieris rapae larvae were analyzed using Hansch-Fujita approach. The chemical descriptors,including electronic (Hammett σ),hydrophobic (clogP),steric (MR) parameters,hydrogen bond acceptor and donor,were employed. The two-dimensional quantitative structure-activity relationship (2D-QSAR) results revealed that the structure-activity relationships of benzoic acid derivatives were similar with that of benzaldehyde thiosemicarbazone derivatives. The hydrogen bond acceptor,steric (MR) and hydrophobic (clogP) parameters were the significant factors on determining activity of the three sets of compounds.