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Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents
Published on: May 28, 2014
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Multi-target bioactive M(II) pyridine-diamine complexes: synthesis, characterization, in vitro and in silico
Saira Nayab1, Amjad Subhan1, Sher Wali Khan2
1Department of Chemistry, Shaheed Benazir Bhutto University (SBBU), Sheringal Upper Dir 18050, Khyber Pakhtunkhwa, Islamic Republic of Pakistan.
Bioorganic Chemistry
|April 5, 2026
Summary
New metal complexes show promise as multi-target drugs, effectively inhibiting urease and demonstrating antioxidant and anti-diabetic activities. The cadmium complex, [Cd(DEP-R)Br2], notably outperformed thiourea in urease inhibition.
Area of Science:
- Coordination Chemistry
- Medicinal Chemistry
- Computational Chemistry
Background:
- Development of novel metallodrugs with multi-target therapeutic potential is crucial for addressing complex diseases.
- Pyridine-derived ligands offer versatile coordination environments for metal ions, influencing complex properties.
- Urease, oxidoreductase, and alpha-amylase are key enzymes implicated in various pathological conditions.
Purpose of the Study:
- To synthesize and characterize novel Cobalt(II), Zinc(II), and Cadmium(II) complexes using a pyridine-derived ligand (DEP-R).
- To evaluate the in vitro biological activities of these complexes, including urease inhibition, antioxidant, and anti-diabetic properties.
- To investigate the molecular interactions and pharmacokinetic profiles of the most potent complexes.
Main Methods:
- Synthesis of metal complexes and structural elucidation using single-crystal X-ray diffraction.
- In vitro enzyme inhibition assays (urease), antioxidant assays (DPPH), and anti-diabetic activity assessments.
- Molecular docking studies, ADMET prediction, and Density Functional Theory (DFT) calculations (HOMO-LUMO).
Main Results:
- All synthesized complexes adopted distorted trigonal bipyramidal geometries.
- [Cd(DEP-R)Br2] exhibited potent urease inhibition (IC50 = 4.51 ± 0.13 μM for JB urease), surpassing thiourea.
- [Co(DEP-R)Cl2] showed significant DPPH radical scavenging activity, and all complexes displayed superior in vitro anti-diabetic activity compared to controls.
Conclusions:
- The synthesized Co(II), Zn(II), and Cd(II) complexes are promising multi-target metallodrug scaffolds.
- The [Cd(DEP-R)Br2] and [Co(DEP-R)Cl2] complexes demonstrate significant therapeutic potential based on their enzyme inhibitory and antioxidant activities.
- Computational analyses support the stability, reactivity, and favorable interactions of these complexes with biological targets, suggesting good pharmacokinetic profiles.
