Molecular modeling, DNA interaction features, cytotoxicity and genotoxicity of the antidepressant escitalopram oxalate.

Escitalopram Oxalate is considered as the most prescribed antidepressant drug in Turkey and some other countries, therefore this research will be aimed to study cytotoxic and DNA interaction of the drug. In order to study the cytotoxic effect, at first, the effect of Escitalopram Oxalate (EO) on the eukaryotic cell will be analyzed by MTT method and molecular autodock analysis. Then its effect on the bacterial cell will be evaluated by Broth dilution method to determine both Minimum Bactericidal Concentration (MBC) and Minimum Inhibition Concentration (MIC). The interaction of the drug with DNA was investigated by UV-Vis spectrophotometry and agarose gel electrophoresis. The absorption value of the drug solution at 238 nm was increased when DNA was added gradually to it and it showed hyperchromism effect. The value obtained for DNA binding constant (Kb) was 0.035 M− 1. When we added the CuCl2 2H2O to the mixture, any breakage was not shown in double-strand DNA in comparison with control DNA. In addition, low concentration of EO couldn't protect DNA (0.5273 μmole bp) against Hydroxyl free radical although it could protect the DNA when it was at the same or higher concentrations than the DNA concentration. The MTT assay showed that 50μM of the drug killed the NIH 3T3 cells. The molecular autodock analysis showed that the drug had a cytotoxic effect. The MIC of the drug for E.coli and Bacillus subtilis was almost 0.185mM and 0.55mM respectively. The E.coli strain was killed at concentrations 45, 15, 5mM while the Bacillus subtilis was stable against all of the concentrations.