DNA binding, potential anticancer, antioxidant and molecular docking simulations of some isonicotinohydrazide metal complexes with the impact of high energy γ-rays irradiation doses: Synthesis and structural characterization

Abstract

This work focuses on the preparation and characterization of some VO(II), Co(II), Cu(II), Zn(II) and Hg(II) complexes (1–5) of N'-(2-aminobenzoyl)isonicotinohydrazide ligand (HL). The compounds were characterized using various analytical and spectral tools. The resulting powder samples of the as prepared complexes (3,5) were exposed to two gamma ray doses up to 150 and 200 kGy from highly-energetic 60Co γ-irradiation (hereafter referred to as (3F,5F) at dose value of 150 kGy and (3F*,5F*) at dose value of 200 kGy). The impact of γ-irradiation on the possible structural changes of these samples after gamma irradiation was studied. The ligand and as prepared Cu(II) (3), Hg(II) (5) and their γ-irradiated (3F,5F) and (3F*,5F*) samples were tested for free radical scavenging activity using the DPPH assay. The DNA cleavage activity using supercoiled plasmid DNA (calf thymus ct-DNA) was explored. The tested ligand (HL) and complexes (3,5) showed excellent DNA binding. Additionally, the in vitro antitumor activity of (HL) and its Cu(II) (3) and Hg(II) (5) complexes was scrutinized against the human breast carcinoma (MCF-7), human hepatocarcinoma (Hep-G2) cell lines and kidney epithelial normal cells extracted from African green monkey kidney (Vero) to investigate the potential safety towards the normal cells. Also, docking simulation was done on the active site of 4FM9 and 1H7K protein for liver cancer and breast cancer cell line, respectively and showed excellent results.