Alberto Marta E, Russo Nino, Adamo Carlo
Institut de Recherche de Chimie Paris (IRCP), Chimie ParisTech, PSL Research University, CNRS, 11 P. et M. Curie, 75005, Paris, France.
Dipartimento di Chimica e Tecnologie Chimiche, Università della Calabria, via P. Bucci, 87036, Arcavacata di Rende (CS), Italy.
Chemistry. 2016 Jun 27;22(27):9162-8. doi: 10.1002/chem.201601089. Epub 2016 Jun 1.
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-PtCl2 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-PtCl2 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) MLCT) 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.
钌（II）-铂（II）配合物是一类作为抗癌剂备受关注的生物活性分子，它将吸光发色团与顺铂类似单元结合在一起。对一种钌（II）配合物及其与顺式PtCl₂部分的共轭物进行密度泛函理论（DFT）和含时密度泛函理论（TDDFT）研究的结果表明，金属的协同效应使该组装体成为一种有前景的多靶点抗癌药物。对I型和II型光反应的考察以及自旋轨道耦合计算表明，顺式PtCl₂部分改善了钌（II）发色团的光物理性质，确保了单线态氧的高效产生，并使该组装体适用于光动力疗法。同时，在到达生物靶点之前，钌（II）发色团通过三重态金属到配体的电荷转移（(³)MLCT）态促进了铂（II）配体的一种新的替代激活机制。准确得出了超分子结构的重要性，为双金属钌（II）-铂（II）组装体在联合抗癌方法中的应用开辟了有趣的新前景。
