A variety of therapies are based on cytotoxicity induced via hampering the DNA and/or RNA homeostasis. The metallodrugs’ forerunner, cisplatin, is exemplificative of the tremendous biological effects of nucleobase targeting, and a large body of researches to discover novel metallodrugs. In this paper, DFT approaches were employed to investigate the structure, stability and electronic properties of the complexes formed by the [Et3PAu]+ metal fragment generated by auranofin -or its derivatives- and the DNA/RNA nucleobases. Therefore, TDDFT calculations were performed to assess the viability of the spectrophotometric quantification of the [Et3PAu]+-nucleobase adducts.
The binding of auranofin at DNA/RNA nucleobases: A DFT assessment
Marrone A.
2024-01-01
Abstract
A variety of therapies are based on cytotoxicity induced via hampering the DNA and/or RNA homeostasis. The metallodrugs’ forerunner, cisplatin, is exemplificative of the tremendous biological effects of nucleobase targeting, and a large body of researches to discover novel metallodrugs. In this paper, DFT approaches were employed to investigate the structure, stability and electronic properties of the complexes formed by the [Et3PAu]+ metal fragment generated by auranofin -or its derivatives- and the DNA/RNA nucleobases. Therefore, TDDFT calculations were performed to assess the viability of the spectrophotometric quantification of the [Et3PAu]+-nucleobase adducts.| File | Dimensione | Formato | |
|---|---|---|---|
|
1-s2.0-S0009261424001349-main.pdf
accesso aperto
Tipologia:
PDF editoriale
Dimensione
2.83 MB
Formato
Adobe PDF
|
2.83 MB | Adobe PDF | Visualizza/Apri |
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
