Estimation of the hemolytic effects of various organotin compounds by structure–activity relationships

The hemolytic effects of 27 organotin compounds, which are environmental pollutants, were studied with rabbit erythrocytes. Various EC50values caused by differences in their chemical structures were observed. The hemolytic activities of tri‐n‐butyltins and triphenyltins were higher than that of sodium‐n‐dodecyl sulfate, and the hemolysis by tri‐n‐butyltin chloride proceeded rapidly. Tri‐n‐butyltin chloride showed the highest hemolytic activity (EC50= 7.48 μM). Methyltin compounds were less active (EC50>364 μM) than any other organotin compound tested. No significant difference in hemolytic activity based on divergences of the anionic functional group which was attached to each triorganotin compound was observed. A structure–activity relationship study was carried out in order to predict EC50values of a series of tested organotin compounds, using various descriptors which represent their physicochemical properties or molecular structures. In the multiparametric regression analysis, the best regression equation (r= 0.854) for estimation of their hemolytic effects was obtained by adopting the descriptors Index Value (IV), Mean Information Index (I ) and Molecular Connectivity Index (0χp).