- Title
- Dithiocarbazate Ligand-Based Cu(II), Ni(II), and Zn(II) Complexes: Synthesis, Structural Investigations, Cytotoxicity, DNA Binding, and Molecular Docking Studies
- Creator
- Yusof, Enis Nadia Md; Azam, Mohammad; Sirat, Siti Syaida; Ravoof, Thahira B. S. A.; Page, Alister J.; Veerakumarasivam, Abhi; Karunakaran, Thiruventhan; Razali, Mohd Rizal
- Relation
- Bioinorganic Chemistry and Applications Vol. 2022, Issue 31 July 2022, no. 2004052
- Publisher Link
- http://dx.doi.org/10.1155/2022/2004052
- Publisher
- Hindawi
- Resource Type
- journal article
- Date
- 2022
- Description
- S-4-methylbenzyl-β-N-(2-methoxybenzylmethylene)dithiocarbazate ligand, 1, prepared from S-(4-methylbenzyl)dithiocarbazate, was used to produce a novel series of transition metal complexes of the type, [M (L)2] [M = Cu(II) (2), Ni(II) (3), and Zn(II) (4), L = 1]. The ligand and its complexes were investigated by elemental analysis, FTIR, 1H and 13C-NMR, MS spectrometry, and molar conductivity. In addition, single X-ray crystallography was also performed for ligand, 1, and complex 3. The Hirshfeld surface analyses were also performed to know about various bonding interactions in the ligand, 1, and complex 3. The investigated compounds were also tested to evaluate their cytotoxic behaviour. However, complex 2 showed promising results against MCF-7 and MDA-MB-213 cancer cell lines. Furthermore, the interaction of CT-DNA with ligand, 1, and complex 2 was also studied using the electronic absorption method, revealing that the compounds have potential DNA-binding ability via hydrogen bonding and hydrophobic and van der Waals interactions. A molecular docking study of complex 2 was also carried out, which revealed that free binding free energy value was -7.39 kcal mol-1.
- Subject
- transition metal complexes; elemental analysis; x-ray crystallography; ligand
- Identifier
- http://hdl.handle.net/1959.13/1454119
- Identifier
- uon:44831
- Identifier
- ISSN:1565-3633
- Rights
- © 2022 Enis Nadia Md Yusof et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
- Language
- eng
- Full Text
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