Abstract
Organometallic rhenium(I) complexes (I-VI) using substituted 5-(2-butyl-5-chloro-1H-imidazol-4-yl)-1,3-diaryl-4,5-dihydro-1H-pyrazole have been synthesized and characterised by spectroscopic method. For evaluation of HOMO-LUMO energy gap, estimation of bond angle, bond length data and Mulliken charge analysis DFT studies were performed. The complexes (I-VI) can be generated by bis-heterocyclic ligand followed by metal chelation. The interactions between synthesised compounds and double stranded DNA (HS DNA) was carried out by viscosity measurements, absorption titration, and gel electrophoresis gives information about modes of binding and the nucleolytic efficiency of compounds. Groove binding was suggested as the most possible mode and the DNA-binding (Kb) constants of the complexes were calculated. Electronic spectra and conductivity measurement confirm the different transition, and non-electrolytic nature of the metal complexes. Thermodynamic parameter ΔG0 value ranging from -7227.0 to -9463.0 J/moleoK. According to the thermodynamic parameter, the main binding force could be judged. In vivo and In vitro cytotoxicity against the eukaryotic and prokaryotic cells gives toxic nature of the synthesised compounds. An antimicrobial study was carried out by estimating MIC (Minimum Inhibitory Concentration) against two Gram-positive and three Gram-negative bacteria. All compounds found effective against S. cerevisiae which is confirmed by enhancing ROS production and DNA damage show by gel electrophoresis as compared to untreated yeast cell culture and DMSO.