Cyanide Bridged Platinum-Iron Complexes as Cisplatin Prodrug Systems: Design and Computational Study.
cisplatin
computational drug design
density functional calculations
ferricyanide
prodrug
Journal
Chemphyschem : a European journal of chemical physics and physical chemistry
ISSN: 1439-7641
Titre abrégé: Chemphyschem
Pays: Germany
ID NLM: 100954211
Informations de publication
Date de publication:
07 01 2021
07 01 2021
Historique:
received:
30
08
2020
revised:
13
10
2020
pubmed:
25
10
2020
medline:
16
6
2021
entrez:
24
10
2020
Statut:
ppublish
Résumé
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.
Identifiants
pubmed: 33098742
doi: 10.1002/cphc.202000748
doi:
Substances chimiques
Antineoplastic Agents
0
Coordination Complexes
0
Cyanides
0
Ligands
0
Prodrugs
0
Platinum
49DFR088MY
Iron
E1UOL152H7
Cisplatin
Q20Q21Q62J
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.
Langues
eng
Sous-ensembles de citation
IM
Pagination
106-111Subventions
Organisme : Department of Energy, basic energy sciences
ID : DE-SC0016501
Pays : International
Organisme : Kent State University for partial support and for generous resource allocation on the Ohio Supercomputer Center
ID : PAA-0213
Pays : International
Informations de copyright
© 2020 Wiley-VCH GmbH.
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