Multi-target activity of copper complexes: Antibacterial, DNA binding, and molecular docking with SARS-CoV-2 receptor
CHEMICO-BIOLOGICAL INTERACTIONS, vol.373, 2023 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 373
- Publication Date: 2023
- Doi Number: 10.1016/j.cbi.2023.110349
- Journal Name: CHEMICO-BIOLOGICAL INTERACTIONS
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, BIOSIS, CAB Abstracts, Chemical Abstracts Core, EMBASE, MEDLINE, Veterinary Science Database
- Keywords: Mixed-ligand complexes, Antibacterial, DNA interactions, SARS-CoV-2, MIXED-LIGAND COMPLEXES, METAL-COMPLEXES, IN-VITRO, MANGANESE(II) COMPLEXES, PENDANT, CRYSTAL, 1,10-PHENANTHROLINE, DERIVATIVES, ANTIFUNGAL, NICKEL(II)
- Istanbul University-Cerrahpasa Affiliated: No
Abstract
A series of pendant-armed mixed-ligand copper(II) complexes of the type [CuL1-3(diimine)] (1-6) have been synthesized by the reaction of pendant-armed ligands N,N-bis(2-(((E)-2-hydroxy-5-methylbenzylidene)amino) ethyl)benzamide (H2L1), N,N-bis(2-(((E)-2-hydroxy-5-methylbenzylidene)amino)ethyl)-4-nitrobenzamide (H2L2) and N,N-bis(2-(((E)-2-hydroxy-5-methylbenzylidene)amino)ethyl)-3,5-dinitrobenzamide (H2L3) with diimine = 2,2 '-bipyridyl (bpy) or 1,10-phenanthroline (phen) in the presence of copper(II) chloride and analyzed using various spectroscopic methods. All the spectroscopic results support that the complexes adopt a pentagonal-bipyramidal shape around the copper ion. Gram-positive and Gram-negative bacteria were used to test all the complexes for antibacterial activity and all the complexes had greater potency against gram-negative pathogens. DNA-binding experiments of complexes with calf thymus DNA revealed a major-groove binding pattern, further supported by molecular docking studies. Complexes have significantly interacted with SARS-CoV-2 receptor via z-z, z-sigma, z-alkyl, z-anion, z-cation, alkyl, hydrogen bond, van der Waals, and electrostatic interactions. The estimated binding energy and inhibition constant of these complexes are higher than standard drugs, chloro-quine, and molnupiravir.