In Vitro and In Silico Screening of Benzimidazole-Based Ruthenium(II) Complexes as Potent ALK Inhibitor for Cancer...

Area of Science:

• Coordination Chemistry
• Materials Science
• Medicinal Chemistry

Background:

• Ruthenium(II) polypyridyl complexes are investigated for their diverse biological applications.
• Improving the selectivity and efficacy of cytotoxic ruthenium complexes is an ongoing research area.
• Heteroleptic complexes offer tunable properties for targeted therapeutic interventions.

Purpose of the Study:

• Synthesize and characterize two new heteroleptic ruthenium(II) polypyridyl complexes: [Ru(bpy)2(B)]Cl2 (RBB) and [Ru(phen)2(B)]Cl2 (RPB).
• Evaluate the antimicrobial, anti-inflammatory, and anti-cancer potential of these novel complexes.
• Investigate the molecular interactions of the complexes with anaplastic lymphoma kinase (ALK) using molecular docking.

Main Methods:

• Synthesis of ruthenium(II) complexes using 2,2'-bipyridine (bpy) and 4,4'-bis(benzimidazolyl)-2,2'-bipyridine (B) ligands.
• Structural characterization using FT-IR, 1H-NMR, and UV-Visible spectroscopy.
• Biological evaluation including antimicrobial screening, anti-inflammatory assays, and molecular docking studies against ALK.

Main Results:

• Successful synthesis and structural confirmation of RBB and RPB complexes.
• Exhibited a range of antimicrobial activities against tested bacterial and fungal species.
• Demonstrated anti-inflammatory activity between 30-75%.
• Molecular docking revealed significant binding affinity of the complexes to the anaplastic lymphoma kinase (ALK) oncoprotein.

Conclusions:

• The synthesized ruthenium(II) complexes possess significant antimicrobial and anti-inflammatory properties.
• These complexes show potential as anti-lymphoma agents, with ALK identified as a key molecular target.
• Further investigation is warranted to explore their therapeutic applications in cancer and infectious diseases.