Abstract
Metal-based cancer chemotherapeutic agent of the type Co(II) complex [Co(mpca)2]·H2O (1), where, Hmpca = 9-methyl-[1,10]phenanthroline-2-carboxylic acid was synthesized and characterized by various spectroscopic and analytical techniques and further authenticated by single crystal X-ray diffraction methods. In vitro DNA binding studies of complex 1 with CT DNA was carried out by several biophysical techniques in accordance with molecular docking technique which revealed that 1 binds to DNA via intercalation mode having GC-rich sequences. Complex 1 cleaves pBR322 DNA via hydrolytic pathway (validated by T4 DNA ligase assay). Furthermore, complex 1 exhibits significant inhibitory effects on the catalytic activity of Topo-I at 25 μM concentration and further validated by molecular docking studies.
[Display omitted] Synthesis, characterization, DNA binding, cleavage and topoisomerase I inhibition activity of [Co(mpca)2]·H2O (1) was investigated. Complex recognizes minor groove and cleave DNA via hydrolytic pathway.
•Complex 1 bearing bioactive 9-methyl-[1,10]phenanthroline-2-carboxylic acid ligand scaffold.•Complex 1 showed an IC50 of 30 μM, indicates that it has high potential to act as an anticancer drug.•In vitro DNA binding studies with CT DNA.•Complex 1 cleaved pBR322 DNA via hydrolytic pathway, accessible to minor groove.•Validation by molecular docking studies.