Cyanide Bridged Platinum‐Iron Complexes as Cisplatin Prodrug Systems: Design and Computational Study,ChemPhysChem

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Cyanide Bridged Platinum‐Iron Complexes as Cisplatin Prodrug Systems: Design and Computational Study
ChemPhysChem ( IF 2.3 ) Pub Date : 2020-10-24 , DOI: 10.1002/cphc.202000748
Ariela W. Kaspi‐Kaneti ₁ , Srijana Bhandari ₁ , Alexander Schubert _{1,

2} , Songping D. Huang ₁ , Barry D. Dunietz ₁

Affiliation

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.

中文翻译：

氰化物桥接的铂铁复合物作为顺铂前药系统：设计和计算研究

研究了氰化物桥接的铂铁络合物作为抗癌Pt（IV）前药的潜在作用。我们提出了双功能前药的设计原理，该功能可以在还原时解离并同时释放六个顺铂单元和每个前药单元一个铁氰化物阴离子。前药分子是由七价铁氰化物核心与六个Pt（IV）中心组成的独特的七金属中心复合物，每个Pt（IV）中心通过氰基配体键合至Fe（III）核心。前药的功能通过密度泛函理论（DFT）计算得到解决。

更新日期：2020-10-24

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