In vitro biological activities of novel Ni(II)-2-chloroquinoline derivative complex: Synthesis, characterization and computational studies

Tadewos Damena; Taye B. Demissie; Mamaru Bitew Alem; Digafie Zeleke; Tegene Desalegn

Results in Chemistry (Dec 2023)

In vitro biological activities of novel Ni(II)-2-chloroquinoline derivative complex: Synthesis, characterization and computational studies

Tadewos Damena,
Taye B. Demissie,
Mamaru Bitew Alem,
Digafie Zeleke,
Tegene Desalegn

Affiliations

Tadewos Damena: Department of Chemistry, Wachemo University, P.O. Box 667, Hossana, Ethiopia; Department of Applied Chemistry, Adama Science and Technology University, P.O. Box 1888, Adama, Ethiopia; Corresponding authors at: Department of Chemistry, Wachemo University, P.O. Box 667, Hossana, Ethiopia (Tadewos Damena).
Taye B. Demissie: Department of Chemistry, University of Botswana, Notwane Rd, P/bag UB, 00704 Gaborone, Botswana; Corresponding authors at: Department of Chemistry, Wachemo University, P.O. Box 667, Hossana, Ethiopia (Tadewos Damena).
Mamaru Bitew Alem: Department of Applied Chemistry, Adama Science and Technology University, P.O. Box 1888, Adama, Ethiopia; Department of Chemistry, Debre Markos University, P.O. Box 269, Debre Markos, Ethiopia
Digafie Zeleke: Department of Chemistry, Salale University, P.O. Box 245, Fitche, Ethiopia
Tegene Desalegn: Department of Applied Chemistry, Adama Science and Technology University, P.O. Box 1888, Adama, Ethiopia; Corresponding authors at: Department of Chemistry, Wachemo University, P.O. Box 667, Hossana, Ethiopia (Tadewos Damena).

Journal volume & issue: Vol. 6
p. 101090

Abstract

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Quinoline derivative nickel complexes have received considerable attention in biomedical research. Herein, novel nickel(II) complex [Ni(II)(HL)2].2H2O was synthesized from newly synthesised ligand 2-((2-hydroxyethyl)amino)quinoline-3-carbaldehyde (H2L) through bidentate fashion of metal–ligand interaction. The complex was characterized using spectroscopic and physicochemical methods. The formation constant (KNi(II) = 2.36 × 107) of the complex was calculated spectroscopically and thermodynamic parameters (ΔG, ΔH and ΔS) were determined from it. In vitro antibacterial activity analysis of the newly synthesized complex exhibited mean inhibition zones ranging from medium to high (16.55 ± 1.03 mm, 16.69 ± 0.63 and 20.94 ± 2.01 mm) at 600 μg/mL against E. coli, S. aureus and P. aeruginosa, respectively. The complex also showed enhanced antioxidant activities compared with the corresponding free ligand. The energy band gap (1.183 eV) was calculated from the HOMO and LUMO of the most stable structure of the synthesized complex. The DFT calculated results and molecular docking analysis results showed good agreement with the experimental results. The complex showed pronounced biological activities than the free ligand. The in silico binding modes of the complex against E. Coli DNA Gyrase and S. aureus Dihydrofolate reductase (PDB: 2w9h) were found to be in excellent agreement with the in vitro biological studies.

Published in Results in Chemistry

ISSN: 2211-7156 (Online)
Publisher: Elsevier
Country of publisher: Netherlands
LCC subjects: Science: Chemistry
Website: https://www.journals.elsevier.com/results-in-chemistry/

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