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Cyanide Bridged Platinum-Iron Complexes as Cisplatin Prodrug Systems: Design and Computational Study |
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| Authors: | Dr. Ariela W. Kaspi-Kaneti Srijana Bhandari Dr. Alexander Schubert Prof. Songping D. Huang Prof. Barry D. Dunietz |
| Affiliation: | 1. Department of Chemistry and Biochemistry, Kent State University, Kent, OH, 44242 USA;2. Department of Chemistry and Biochemistry, Kent State University, Kent, OH, 44242 USA Present address: Institute of Physical Chemistry, Friedrich Schiller University Jena, 07743 Jena, Germany |
| Abstract: | The potential role of cyanide-bridged platinum-iron complexes as an anti-cancer Pt(IV) prodrug is studied. We present design principles of a dual-function prodrug that can upon reduction dissociate and release concurrently six cisplatin units and a ferricyanide anion per prodrug unit. The prodrug molecule is a unique complex of hepta metal centers consisting of a ferricyanide core with six Pt(IV) centers each bonded to the Fe(III) core through a cyano ligand. The functionality of the prodrug is addressed through density functional theory (DFT) calculations. |
| Keywords: | cisplatin prodrug density functional calculations computational drug design ferricyanide |