9,10-Anthraquinone Dithiocarbamates as Potential Pharmaceutical Substances with Pleiotropic Actions: Computerized Prediction of Biological Activity and Experimental Validation

The pleiotropic pharmacological actions of 9,10-anthraquinone dithiocarbamates were studied. The Way2Drug web portal was used to establish that cytotoxic, antiviral, and anticonvulsant actions were predicted for the study molecules, along with moderate toxicity. In vitro experimental studies showed that all study compounds had cytotoxic effects on tumor cell lines Hep-2, CHO, HeLa, Raji, BL, and B95-8. The high levels of cytotoxicity against cell lines Raji and B95-8 seen with derivatives II, IV, VI, and X was evidence of direct actions on Epstein-Barr virus (EBV). Along with the cytotoxic action, dithiocarbamates V, VIII, and IX showed antiviral effects against herpes virus HSV-2. Compounds VI and X, which had cytotoxic and antiviral actions, produced anticonvulsant effects 3 and 6 h after administration, while dithiocarbamate III, which had cytotoxic activity, retained its antiviral effect 24 h after administration. Dithiocarbamates with pleiotropic actions were moderately toxic (LD50 > 1000 mg/ml, mice, p.o.). Interactions between the structures and the three types of biological activity studied experimentally were assessed.