article · Journal of Coordination Chemistry
A new zinc(II) metal complex coordinated with the drug carbamazepine has been synthesised and analysed. Spectroscopic and analytical testing revealed that two carbamazepine molecules bind to each zinc ion through nitrogen and oxygen atoms, forming a distorted octahedral structure. Laboratory evaluations showed that the resulting complex possesses antimicrobial activity against fungi as well as Gram-positive and Gram-negative bacteria. When evaluated against human cancer cell lines, the zinc complex proved substantially more potent than carbamazepine alone, demonstrating high cytotoxic efficiency against HepG-2 liver cancer and MCF-7 breast cancer cells. Computational studies confirmed the thermodynamic stability of the complex through bidentate coordination and reduced energy gaps. Molecular docking models further indicated that the complex binds effectively to the active site of the MCF-7 breast cancer receptor through hydrogen bonding and hydrophobic interactions.
Modifying existing pharmaceutical compounds by binding them to essential metals can significantly enhance their therapeutic properties. Demonstrating that a zinc-carbamazepine complex outperforms the parent drug against liver and breast cancer cell lines, alongside showing broad antimicrobial properties, highlights coordination chemistry as a viable route to generate more effective treatments from known therapeutic molecules.
This work represents early-stage laboratory research of interest to pharmaceutical developers and medicinal chemists designing improved therapeutic agents. The findings demonstrate enhanced in vitro cytotoxicity against cancer cells and antimicrobial activity, but practical application remains at a very early discovery stage, requiring extensive in vivo testing, pharmacological optimisation, and toxicity profiling before any clinical development can take place.
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This research centers upon the synthesis of a new Zn(II) complex. It is characterized by using various analytical and spectroscopic tools, including FTIR, mass, PXRD, molar conductivity, elemental and thermal analyses. From the results obtained, Zn(II) metal reacts with carbamazepine (CBZ) ligand in the ratio of 1:2 [M2+:CBZ] with formula [Zn(CBZ)2(H2O)Cl]Cl · H2O. The spectroscopic and analytical data demonstrated that CBZ acts as a bidentate ligand through the nitrogen of the N-H bond and the oxygen of the amide group, forming a distorted octahedral geometry complex. The synthesized complex has been investigated against different pathogenic microorganisms, such as fungi, two Gram-negative bacteria, and two Gram-positive bacteria, as well as the cytotoxicity activity of CBZ and its Zn(II) complex has been tested against two human cancer cell lines, indicating the Zn(II) complex shows higher efficiency than CBZ, with values of 0.019 µM for HepG-2 and 0.031 µM for MCF-7. Density functional theory calculations demonstrated that CBZ forms a stable Zn(II) complex via bidentate coordination, thereby reducing the HOMO–LUMO gap and increasing thermodynamic stability. Both the CBZ and Zn(CBZ)2 complexes can interact with the active site of the MCF-7 breast cancer receptor via hydrogen bonding and hydrophobic interactions, according to molecular docking experiments.
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DOI: 10.1080/00958972.2026.2724400
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