Photophysical Exploration of Dual-Approach PtII-BODIPY Conjugates: Theoretical Insights.
Fortuna PonteMarta Erminia AlbertoBruna C De SimoneNino RussoEmilia SiciliaPublished in: Inorganic chemistry (2019)
Two-component PtII-BODIPY dyes were recently proposed as potential multitarget agents able to conjugate the photobased photodynamic therapy (PDT) treatment with the classical chemotherapy approach based on PtII complexes. A careful first-principle investigation is herein presented on the above-mentioned conjugates (Pt-1 and Pt-2) and on the two metal-free precursors (1 and 2), aimed at revealing the influence of the platinum moiety on the physicochemical behavior of the photosensitizer (PS) and to inspect, in turn, the possible modulation of the hydrolysis rate of the PtII ligand induced by the PS. The investigated photophysical properties for singlet and triplet states and the amplitude of the computed spin-orbit matrix elements reveal that the Pt-containing systems are able to enhance the cytotoxic 1O2 production. The PtII moiety, instead, follows an activation mechanism similar to that previously found for cisplatin and its analogues already used in cancer therapy.
Keyphrases
- photodynamic therapy
- cancer therapy
- fluorescent probe
- living cells
- drug delivery
- fluorescence imaging
- magnetic resonance imaging
- room temperature
- genome wide
- radiation therapy
- single cell
- magnetic resonance
- density functional theory
- high speed
- climate change
- replacement therapy
- locally advanced
- human health
- quantum dots
- mass spectrometry
- functional connectivity
- structure activity relationship