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The electrochemistry and cytotoxicity of marcanine A were investigated by electrochemical, computational and cellular studies. To enable a structure–toxicity-relationship of the natural product, eleven novel synthetic derivatives with different electrochemical properties were synthesized and tested. Derivative 5 revealed a GI50 in the low μM range, being more active than the actual natural product. A clear correlation was found between the experimental and the calculated data.

Investigation on the electrochemistry and cytotoxicity of the natural product marcanine A and its synthetic derivatives