QSAR OF COPPER(II) COMPLEXES WITH CYTOTOXIC PROPERTIES

A QSAR based on a multiple regression analysis for 15 copper(II) semi- and thiosemicarbazone complexes with cytotoxic properties is presented. ''In vitro'' cytotoxicity was selected as the dependent variable and Van der Waals volumes (Vm), octanol- water partition coefficients (log P), specific rate constants of the copper(II) complexes towards superoxide radicals (k(s)) and variation in C = N vibration bands (DELTA-CN) in IR spectra of the complexes with respect to the free ligands were selected as the independent variables. The ''stepwise regression'' procedure and the ''all possible regressions'' were practiced in the analysis of the data. The orthogonality analysis proved noncollinearity among the variables. According to the obtained equation the two best copper(II) complexes were submitted to a broad ''in vivo'' screening study and resulted to be active against La, P-388 and L-1210 leukemias.