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Synergistic Effects of Metals in a Promising Ru II −Pt II Assembly for a Combined Anticancer Approach: Theoretical Exploration of the Photophysical Properties
Author(s) -
Alberto Marta E.,
Russo Nino,
Adamo Carlo
Publication year - 2016
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201601089
Subject(s) - moiety , chromophore , chemistry , singlet oxygen , ligand (biochemistry) , bimetallic strip , combinatorial chemistry , photochemistry , supramolecular chemistry , sonogashira coupling , time dependent density functional theory , molecule , stereochemistry , metal , palladium , oxygen , catalysis , organic chemistry , biochemistry , receptor
Ru II −Pt II complexes are a class of bioactive molecules of interest as anticancer agents that combine a light‐absorbing chromophore with a cisplatin‐like unit. The results of a DFT and TDDFT investigation of a Ru II complex and its conjugate with a cis ‐PtCl 2 moiety reveal that a synergistic effect of the metals makes the assembly a promising multitarget anticancer drug. Inspection of type I and type II photoreactions and spin–orbit coupling computations reveals that the cis‐ PtCl 2 moiety improves the photophysical properties of the Ru II chromophore, ensuring efficient singlet oxygen generation and making the assembly suitable for photodynamic therapy. At the same time, the Ru II chromophore promotes a new alternative activation mechanism of the Pt II ligand via a triplet metal‐to‐ligand charge transfer ( 3 M LCT) state, before reaching the biological target. The importance of the supramolecular architecture is accurately derived, opening interesting new perspectives on the use of bimetallic Ru II −Pt II assemblies in a combined anticancer approach.