Synthesis, characterization, and biological studies of novel organometallic compounds of Re(I) with substituted 1-(4-((1-(4-nitrophenyl)−1H-1,2,3-triazol-4-yl)methoxy)phenyl)ethan-1-one

Organometallic Re(I) complexes and substituted 1-(4-((1-(phenyl)−1H-1,2,3-triazol-4-yl) methoxy) phenyl) ethan-1-one were effectively synthesized and characterized using a variety of spectroscopic techniques. Through viscosity measurements and absorption titration tests, their interaction with CT-DNA was investigated. A groove binding mode was discovered, and molecular docking analysis confirmed this finding. Additionally, protein-binding affinity was assessed by BSA binding assays. Tests of the synthesized compounds' antibacterial activity against three Gram-negative and two Gram-positive strains showed that Re(I) complexes exhibit more potent antibacterial activities than free ligands. SwissADME was used to predict pharmacokinetic parameters to assess drug-likeness. DFT computations were used to calculate the compounds' molecular orbital energies. Furthermore, the anticancer potential was tested against MCF-7 cells, and cytotoxicity was evaluated using a brine shrimp lethality assay. The IC 50 values were utilized to assess the anticancer activity of the compounds and compared to that of standard drugs. • Substituted 1-(4-((1-(4-nitrophenyl)−1H-1,2,3-triazol-4-yl)methoxy)phenyl)ethan-1-one based Re(I) complexes were synthesized and characterized. • Fluorescence studies and absorbance titration demonstrated the complex's intercalation binding to CT-DNA. • In silico investigation and biological activity of the compounds and reference were evaluated. • In vitro, cytotoxicity activities were carried out on MCF-7 breast cancer cell lines.