Bulletin of the American Physical Society
APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020; Denver, Colorado
Session G58: DFT and Beyond V
11:15 AM–2:15 PM,
Tuesday, March 3, 2020
Room: Mile High Ballroom 3B
Sponsoring
Units:
DCP DCOMP DPOLY DCMP
Chair: Carsten Ullrich, Univ of Missouri - Columbia
Abstract: G58.00009 : Cyanide Bridged Platinum-Iron Complexes as Cisplatin Prodrug Systems: Design and Computational Study
View Presentation Abstract
Presenter:
Ariela Kaspi-Kaneti
(Kent State Univ - Kent)
Authors:
Ariela Kaspi-Kaneti
(Kent State Univ - Kent)
Srijana Bhandari
(Kent State Univ - Kent)
Barry Dunietz
(Kent State Univ - Kent)
We present design principles of cyanide bridged Platinum-Iron complexes as novel Platinum(IV) anti-cancer prodrugs that bear the potential of high selectivity towards cancerous cells. The proposed molecular system can release up to six cisplatin anticancer agents per prodrug unit. This functionality of the prodrug is addressed through density functional theory (DFT) calculations that are presented as a demonstration of the proposed principle.
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