Abstract
Metal-based cancer chemotherapeutic agents of the type [Cu(phen)TzCl2]H2O 1 and [Zn(phen)(Tz)Cl2·H2O] 2, where phen = 1,10-phenanthroline and Tz = 1,2,4-triazole have been synthesized and characterized by various spectroscopic and analytical techniques. The structure of complex 1 was also determined by X-ray crystallography. The in vitro DNA binding studies of complexes 1 and 2 with CT DNA were carried out by various biophysical and molecular docking techniques. Both the complexes cleave supercoiled pBR322 DNA via hydrolytic pathway, as validated by T4 DNA ligase assay. Furthermore, both complexes exhibited significant antimicrobial activity. The results revealed that complex 1 has better prospectus to act as cancer chemotherapeutic candidate which warrants further in vitro and in vivo anticancer investigations.
[Display omitted] Synthesis, characterization, DNA binding, cleavage and antimicrobial studies of [Cu(phen)TzCl2]H2O 1 and [Zn(Phen)(Tz)Cl2·H2O] 2 were investigated. Complexes recognize minor groove and cleave DNA via hydrolytic pathway.
► New complexes 1 and 2 bearing bioactive phenanthroline and triazole ligand scaffold. ► In vitro DNA binding studies with CT DNA. ► Complexes cleave pBR322 DNA via hydrolytic pathway, accessible to minor groove. ► Complex 1 exhibits significant antimicrobial activity. ► Validation by molecular docking studies.