Reduction of a platinum(iv) prodrug model by sulfur containing biological reductants: computational mechanistic elucidation

Abstract

A PtIV prodrug needs to be reduced to PtII by a biomolecule in order to show efficacy. Among biomolecules, those containing an l-Cys residue have the highest potential to be involved in reduction. Tautomerisation from HSCH2CH(NH3+)CO2− to the unusual zwitterion form −SCH2CH(NH3+)CO2H is the prerequisite for l-Cys to become a potent reductant at a low pH. Show more