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Synthesis of a Thiol Building Block for the Crystallization of a Semiconducting Gyroidal Metal-sulfur Framework
Published on: April 9, 2018
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Unlocking the biological potential of transition metal complexes with Thiosemicarbazone ligands: Insights from
Daksh Khurana1, Binesh Kumar2, Jai Devi2
1Department of Computer Science & Engineering, Symbiosis Institute of Technology, Pune, 412115, Maharashtra, India.
Heliyon
|July 12, 2024
Summary
New thiosemicarbazone metal complexes show potent activity against breast cancer, tuberculosis, and microbial infections. Copper(II) and Zinc(II) complexes exhibit significant efficacy, offering promising therapeutic potential.
Area of Science:
- Inorganic Chemistry
- Medicinal Chemistry
- Computational Chemistry
Background:
- Thiosemicarbazone ligands and their metal complexes have demonstrated potential in treating various diseases.
- Previous studies indicated efficacy against malaria, oxidative stress, and inflammation.
Purpose of the Study:
- To investigate the potential of novel thiosemicarbazone ligands and their Co(II), Ni(II), Cu(II), and Zn(II) complexes as combating agents against breast cancer, tuberculosis, bacterial, and fungal infections.
- To analyze the drug-likeness, reactivity, and stability of highly bioactive compounds using ADMET and DFT investigations.
Main Methods:
- Synthesis and characterization of thiosemicarbazone ligands and their metal complexes.
- In vitro testing using MTT, microplate alamar blue, and serial dilution assays.
- ADMET, DFT, and molecular docking studies were performed on selected compounds.
Main Results:
- Ligand 2 and its complexes showed higher efficacy than ligand 1 and its complexes.
- Copper(II) complex 9 exhibited potent anticancer activity (IC50 = 0.029 ± 0.001 μM) against MCF-7 cells.
- Zinc(II) complex 10 demonstrated significant anti-tuberculosis activity (MIC = 0.0034 ± 0.0017 μmol/mL) against H37Rv strain.
- Both complexes showed notable antibacterial and antifungal activities.
- Molecular docking revealed strong binding affinities for complexes 9 and 10 with target proteins.
Conclusions:
- The synthesized thiosemicarbazone complexes, particularly Cu(II) (9) and Zn(II) (10), display significant therapeutic potential against breast cancer, tuberculosis, and microbial infections.
- Computational studies support the observed bioactivity and drug-likeness of these compounds.
- This research underscores the pharmaceutical importance of thiosemicarbazone-based transition metal complexes as a promising avenue for developing new anti-infective agents.
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