New Copper and Cobalt Complexes Based on a Fluorinated Pyrazole Derivative, Synthesis, Characterization and Antibacterial Activity

Applied Organometallic Chemistry, Journal Year: 2025, Volume and Issue: 39(5)

Published: April 8, 2025

ABSTRACT Two copper and cobalt complexes based on 3‐(trifluoromethyl)‐4‐((3‐(trifluoromethyl)phenyl)diazenyl)‐1H‐pyrazol‐5‐ol (Httdp) have been prepared characterized using different physicochemical techniques. The crystal structure of the complex has proven to be a square pyramidal, an octahedral structure. DFT calculations were performed, energy gaps between HOMO–LUMO (−3.38676 −3.18138 eV) Cu (II) reflect higher relative stability compared with Httdp Co complex. antibacterial activities two evaluated. demonstrated highest activity against various bacteria mean inhibition zones exhibited by showed toward Gram‐negative bacterial strains 30.3 ± 0.6 ( Staphylococcus aureus ) 25.7 Bacillus subtilis mm. Docking studies carried out S. tyrosyl‐tRNA synthetase (PDB ID: 1JIJ) assess antimicrobial activities, proving that efficient for protein.

Language: Английский

Synthesis, characterization, crystal structure, electrochemical and photoluminescence properties, DFT and molecular docking studies, and antimicrobial activities of two mononuclear nickel (II) complexes with pyrazole-derived ligands

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 142763 - 142763

Published: May 1, 2025

Language: Английский