Deciphering the calf thymus DNA binding potential of 5FU conjugated copper oxide nanoparticles along with its antiproliferative effects on liver cancer cells: A molecular, in silico, and in vitro approach

Abstract

The current study accomplished 5-fluorouracil conjugated copper oxide nanoparticles (5FUcCuONPs) and assessed their DNA binding and antiproliferative capabilities using an array of in vitro techniques. The synthesized nanoparticles were characterized by UV-visible spectroscopy, dynamic light scattering, Fourier transform infrared spectroscopy, thermogravimetric analysis, and microscopic techniques. The DNA interaction analysis revealed that 5FUcCuONPs had a binding constant value in the range of 5.27 × 104 M−1, demonstrating an effective DNA binding interaction. The potency of the binding interactions was further corroborated by the Atomic Force Microscopic (AFM) analysis. Moreover, the intricate mechanism of the ligand-DNA interaction was investigated by molecular docking study, which revealed a binding energy of -6.3 kcal/mol. The 2D interaction plots of selected conformations revealed a network of hydrophobic and hydrogen bond interactions. Subsequent cell viability and the morphological study in HepG2 cells demonstrated the anticancer potential of 5FUcCuONPs with the IC50 value of 7.1μg/ml. This study demonstrates the DNA binding and therapeutic potential of 5-fluorouracil conjugated copper oxide nanoparticles, offering an intriguing alternative to combinatorial chemotherapy.