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

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Abstract

Two new heteroleptic Ru(II) polypyridyl complexes, [Ru(bpy)2(B)]Cl2 (RBB) (bpy = 2,2′-bipyridine and B = 4,4′-bis(benzimidazolyl)-2,2′-bipyridine) and [Ru(phen)2(B)]Cl2 (RPB), were synthesized, and the structural features were confirmed by the analytical and spectral tools such as FT-IR, 1H-NMR, and UV–Visible spectroscopy. We have explored the possibility of improving the selectivity of cytotoxic Ru(II) complex and their preliminary biological evaluation against MCF-7 and MG-63 cell lines and clinical pathogens. The results of the antimicrobial screening show that the ligand and complexes have a range of abilities against the species of bacteria and fungi that were tested. The anti-inflammatory activity of the compounds was found to be in the range of 30–75%. Molecular docking study was performed for these ligand and complexes to evaluate and analyze the anti-lymphoma cancer activity. Molecular docking score and the rank revealed the bonding affinity towards the site of interaction of the oncoprotein anaplastic lymphoma kinase (ALK).

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The data available and/or analyzed in this the current work is available from the corresponding author on request.

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Acknowledgement

The authors are thankful to Trichy Research Institute of Biotechnology PVT. Ltd. for helping in carrying out the biological studies. We are grateful to Dr. E. Angel Jemima for her contribution in the study of biological activities of the synthesized metal complexes.

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Authors and Affiliations

  1. Photochemistry Research Laboratory, Department of Chemistry, Manonmaniam Sundaranar University, Abishekapatti, Tirunelveli, 627012, Tamil Nadu, India

    Kamaraj Karthick, Muthukumar Abinaya, Thangaraj Shankar & Kalaiyar Swarnalatha

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  1. Kamaraj Karthick
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  2. Muthukumar Abinaya
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  3. Thangaraj Shankar
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  4. Kalaiyar Swarnalatha
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Contributions

All the authors contributed to the design and the study. The complexes are synthesized and the complete experimental part and biological studies are carried out by Kamaraj Karthick. Muthukumar Abinaya has helped in the compilation and analysis of the biological part. Dr. Thangaraj Shankar has contributed in the complete characterization of the ligand and metal complexes. Kalaiyar Swarnalatha is the team supervisor and she is the sole responsible (draft and the compilation) for the manuscript.

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Correspondence to Kalaiyar Swarnalatha.

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Karthick, K., Abinaya, M., Shankar, T. et al. In Vitro and In Silico Screening of Benzimidazole-Based Ruthenium(II) Complexes as Potent ALK Inhibitor for Cancer Prevention. Appl Biochem Biotechnol 195, 7397–7413 (2023). https://doi.org/10.1007/s12010-023-04435-8

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