In vitro anticancer and antibacterial activates of the yttrium(III) complex and its nano-carriers toward DNA cleavage and biological interactions with DNA and BSA; An experimental and computational studie

Objectives: In this research, the biological properties of the yttrium (III) (Y) complex, with 2,9-dimethyl- 1,10phenanthroline (Me2Phen) ligand, were examined for in vitro fish DNA (FS-DNA)/ bovine serum albumin (BSA) interactions, DNA-cleavage, anticancer and antibacterial activities. Methods: Multi-spectrophotometric techniques and computational calculations were used for the interaction studies of the BSA and FS-DNA with the Y-complex. Absorption and fluorescence spectroscopy methods were used to define thermodynamic parameters, the binding constants (Kb), and the probable binding mechanism. Also, the DFT (density functional theory) study and molecular docking calculation of the Y-complex were done. Besides, the nanocarriers of Y-complex (lipid nanoencapsulation (LNEP) and the starch nanoencapsulation (SNEP)), as active anticancer candidates, were prepared. Finally, DNA-cleavage, anticancer, and antibacterial activities of this complex were investigated. Results: The absorption and fluorescence measurements were exhibited that the Y-complex has a high binding affinity to FS-DNA and BSA through a static mechanism. The negative thermodynamic parameter values for both DNA/BSA binding were confirmed that the hydrogen bonds and van der Waals forces played an essential role in the spontaneous bonding procedure. The site marker competitive studies for BSA confirmed that the Y-complex bonds to the sub-domain IB of protein (site III) on BSA, which was entirely agreement by docking calculation. The complex has displayed efficient DNA cleavage, antifungal and antibacterial activities. The anticancer activity of the Y-complex and its starch/lipid nano-encapsulated was carried out in cancer cell lines, which exposed considerably high activity. Conclusions: Thus, Y-complex can be transported professionally through BSA in the blood and bonds in the groove of DNA. Base on biological applications of the Y-complex, it can be concluded that this complex and its nanocarriers can suggest as novel anticancer and antibacterial candidates.

Automated summary

The research examined the biological properties of a yttrium (III) complex with a specific ligand, including interactions with fish DNA and bovine serum albumin, DNA-cleavage, anticancer, and antibacterial activities. The results showed that the complex had a strong binding affinity, efficient DNA cleavage, and high activity against cancer cell lines. The study suggests that the complex and its nanocarriers could serve as novel anticancer and antibacterial candidates.