Abstract
ABSTRACT. The aim of medicinal chemistry is to links many scientific disciplines and allows the scientists in researching and developing new drugs with enhance and targeted properties. In this article we are exploring the preparation of four new zinc(II) carboxylate complexes based on N-[(2-methoxy-5-nitrophenyl)]-4-oxo-4-[oxy]butenamide which were characterized through FT-IR and EDX studies. The DNA binding ability and binding type of complexes were assessed by spectroscopic (UV-Visible) and viscosity measurements, exhibiting an intercalative pattern of interaction. The synthesized compounds were also assessed to know theoretically about their nature by molecular docking studies resulting also in intercalation mode. Analysis of the complexes for biological applications such as anti-microbial, anti-leishmanial, cytotoxicity and DNA damage activities showed that these complexes carries good anti-microbial, anti-leishmanial activity with no toxicity to human blood thyrocytes and DNA. The bioavailability prediction and drug likeness score has also been evaluated through Insilco studies.
 
 KEY WORDS: Zn(II) carboxylate complex, DNA binding, Anti-leishmanial activity, Cytotoxicity, Docking study
 
 Bull. Chem. Soc. Ethiop. 2021, 35(2), 365-380.
 DOI: https://dx.doi.org/10.4314/bcse.v35i2.11
Highlights
Zinc has got importance because of its catalytic, enhanced biological activities of ligand along with highly inhibiting activities against fungal and bacterial growth [1,2,3]
The result of the Molecular docking study revealed that complex interacts with one H-acceptor and two pi-Hs with DC3 and DG4 residues of deoxy ribonucleic acid (DNA), respectively
The results of DNA damage activity show that the synthesized complexes compared to H2O2 have no obvious DNA laddering profile
Summary
Zinc has got importance because of its catalytic, enhanced biological activities of ligand along with highly inhibiting activities against fungal and bacterial growth [1,2,3]. The amide-based carboxylate ligands were designed for the current study because of the existence of peptide bonds in its structures which is highly important on the biological side because of its larger hydrophilic character as compared to the simple carboxylates [4, 5]. The carboxylate complexes of zinc(II) with ligands of nitrogen or oxygen donors have been proved highly significant in biochemical aspects, i.e. biological and chemical point of view in current era [6, 7]. Curcuminate based zinc(II) complexes having an aromatic spectator ligands displayed in vitro anticancer activity against various cancer cell lines [9]. Zn(II) complexes have displayed antitumor activity against human cancer cell lines because of the cytoprotective nature of Zn and suppresses apoptotic pathways [11]. Amide based Zn(II) carboxylate complexes have been used for Alzheimer’s disease treatment against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) [12]
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