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Synthesis, DFT Calculation, DNA Binding, and Biological Evaluation of Some Mononuclear Ru(III) Сomplexes with 2,6-Bis(2-benzimidazolyl)pyridine Bearing Different p-Substituted Heterochalcones

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Abstract

Synthesis of five mononuclear ruthenium(III) complexes with Schiff's base ligand was performed using 2,6-bis(1H-benzo[d]imidazole-2-yl)pyridyldichlororuthenium(III) hydrate reacted with different substituted pyridyl chalcone. The complexes were characterized by elemental analysis, FT-IR, ESR, electronic absorption, and mass spectral studies. The geometry of metal complexes was optimized by Gaussian-09 using B3LYP as the basis set. The anti-mycobacterial activity of the ligands and complexes was evaluated. The anti-tumor activity of ligands and complexes was evaluated on human chronic myelogenous leukemia cancer cell line K562 by the MTT method. The DNA binding affinity was further endorsed for ct-DNA of complexes and the binding constant was determined. The docking of metal complexes was also carried out.

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ACKNOWLEDGMENTS

The authors gratefully acknowledge IIT (Mumbai) for ESR spectroscopy, and also CDRI (Lucknow) for biological activity study. The authors are thankful to the Head of the Department of Chemistry, Lucknow University for extending laboratory, NMR facilities, and FT-IR facilities under DST-PURSE.

Funding

This work was financially supported by UP Government (project no.47/2021/606/70-4-2021-4(56)/2020).

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Authors and Affiliations

  1. Department of Chemistry, Faculty of Science, University of Lucknow, 226007, Lucknow, India

    A. K. Singh, R. K. Singh, F. Arshi, S. K. Singh, K. Dhariyal & L. Kumari

  2. Department of Physics, Faculty of Science, University of Lucknow, 226007, Lucknow, India

    A. Khare & A. Kumar

  3. Department of Microbiology, Central Drug Research Institute, 226031, Lucknow, India

    S. K. Singh

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  1. A. K. Singh
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Singh, A.K., Singh, R.K., Arshi, F. et al. Synthesis, DFT Calculation, DNA Binding, and Biological Evaluation of Some Mononuclear Ru(III) Сomplexes with 2,6-Bis(2-benzimidazolyl)pyridine Bearing Different p-Substituted Heterochalcones. Russ J Gen Chem 93, 375–388 (2023). https://doi.org/10.1134/S1070363223020202

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