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.

Photophysical Exploration of Dual-Approach PtII-BODIPY Conjugates: Theoretical Insights

Ponte F.;Alberto M. E.
;
De Simone B. C.;Russo N.;Sicilia E.
2019

Abstract

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.
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.11770/298887
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 14
  • ???jsp.display-item.citation.isi??? 14
social impact