4.5 Article

Cyanide Bridged Platinum-Iron Complexes as Cisplatin Prodrug Systems: Design and Computational Study

Journal

CHEMPHYSCHEM
Volume 22, Issue 1, Pages 106-111

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.202000748

Keywords

cisplatin; prodrug; density functional calculations; computational drug design; ferricyanide

Funding

  1. Department of Energy, basic energy sciences grant [DE-SC0016501]
  2. Kent State University [PAA-0213]

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The study examines the potential of cyanide-bridged platinum-iron complexes as an anti-cancer Pt(IV) prodrug, presenting design principles for a dual-function prodrug that can release multiple cisplatin units and a ferricyanide anion upon reduction. The unique prodrug molecule consists of a hepta metal complex with a ferricyanide core and Pt(IV) centers bonded to the Fe(III) core through cyano ligands, with the functionality of the prodrug explored through density functional theory (DFT) calculations.
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.

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