Guanine binding to dirhodium tetracarboxylate anticancer complexes: quantum chemical calculations unravel an elusive mechanism

摘要

The reaction mechanism leading to metalated DNA fragments in which guanine-N7,O6 spans the metal-metal bond of dirhodium antitumour complexes in a bridging fashion at equatorial sites has been unravelled by a comprehensive prediction of intermediates and transition states.The success of the anticancer drug cisplatin has stimulated the search for new metallopharmaceuticals.