Multi-target activity of copper complexes: Antibacterial, DNA binding, and molecular docking with SARS-CoV-2 receptor.
In: Chemico-biological interactions, Jg. 373 (2023-03-01), S. 110349
academicJournal
Zugriff:
A series of pendant-armed mixed-ligand copper(II) complexes of the type [CuL 1-3 (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 (H 2 L 1 ), N,N-bis(2-(((E)-2-hydroxy-5-methylbenzylidene)amino)ethyl)-4-nitrobenzamide (H 2 L 2 ) and N,N-bis(2-(((E)-2-hydroxy-5-methylbenzylidene)amino)ethyl)-3,5-dinitrobenzamide (H 2 L 3 ) 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 π-π, π-σ, π-alkyl, π-anion, π-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, chloroquine, and molnupiravir.
Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
(Copyright © 2023 Elsevier B.V. All rights reserved.)
Titel: |
Multi-target activity of copper complexes: Antibacterial, DNA binding, and molecular docking with SARS-CoV-2 receptor.
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Autor/in / Beteiligte Person: | Arthi, P ; Dharmasivam, M ; Kaya, B ; Rahiman, AK |
Zeitschrift: | Chemico-biological interactions, Jg. 373 (2023-03-01), S. 110349 |
Veröffentlichung: | Limerick : Elsevier ; <i>Original Publication</i>: Amsterdam, Elsevier., 2023 |
Medientyp: | academicJournal |
ISSN: | 1872-7786 (electronic) |
DOI: | 10.1016/j.cbi.2023.110349 |
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