Research Information System
JOURNAL OF MOLECULAR STRUCTURE, vol.1316, 2024 (SCI-Expanded)
This work includes the synthesis of some BODIPY-derived heterocyclic Calix[4]arene compounds and the investigation of their effects on DNA. Among the calixarene-BODIPY-based target compounds, compounds 3 and 9 were newly synthesized, and compound 7 was synthesized as given in the literature. The structures of all synthesized compounds were determined by elemental analysis and spectroscopic techniques (13C NMR, 1H NMR, FT-IR). The effects of the synthesized Calixarene/BODIPY compounds (3, 7, and 9) against ct-DNA were examined via UV-Vis spectrometric and fluorimetric methods. The obtained results indicated that compounds 3, 7, and 9 bind to DNA, and the calculated binding constants (Kb) were found 1.62 x 103 M-1, 1.54 x 103 M-1, and 1.14 x 102 M-1 respectively. Also, the DNA cleavage activity was examined against pBR322 plasmid DNA. The results showed that all compounds (3, 7, and 9) had a quite high effect on pBR322 plasmid DNA. Molecular docking studies were also performed to gain insight into the binding affinities and key interactions of DNAsynthesized compounds. The strong binding of compounds to the DNA can be attributed to high negative values of binding free energy between -20.2 and -17.4 kcal mol-1. These results gave the idea that these molecules are candidate molecules, especially for anti-bacterial and anticancer studies.