Abstract
A novel diperchlorate cobalt complex of bidentate phenanthroline ligand, formulated as [Co(phen)3(ClO4)2], is synthesized and characterized by physicochemical and spectroscopic methods, including thermal analysis. The binding potential of the synthesized Co-o-phen powder complex in the absence of solvent molecules with CT-DNA is explored using UV-Vis absorption spectra and viscosity measurements, which confirmed that the Co-o-phen complex has stronger binding affinity to CT-DNA through an intercalation mode of binding, further supported by molecular docking study. In addition, the result of the protein binding study also reveals the higher binding affinity, i.e. the stronger binding ability between BSA and the metal compound of free o-phen ligand. To add, cytotoxicity behaviour is confirmed by in vitro cytotoxicity, which is performed using brine shrimp lethality test (BSLT). Antibacterial study reveals better response of Co-o-phen complex than that of free ligand against panel of organisms. Single crystals of the synthesized [Co(o-phen)3(ClO4)] compound from two different solvents, pyridine and tetrahydropyrrole, result in two different cobalt-phenanthroline (Co-o-phen) complexes, with molecular composition [{Co(o-phen)3}(ClO4)2(pyr)] (1) and [{Co(o-phen)3}(ClO4)2(pyro)(H2O)] (2) (o-phen = o-phenanthroline, pyr = pyridine, pyro = tetrahydropyrrole) which are confirmed by single crystal X-ray structure analysis. In both the monomeric complexes, cation unit Co(o-phen)3 exhibits distorted octahedron with CoN6 coordination involving six N atoms, each two from three bis-chelating o-phen ligands. Both the counter perchlorate anions (ClO4)− remain uncoordinated in both the complexes along with solvent pyridine (in complex 1) and with tetrahydropyrrole (in complex 2). There is one water molecule in complex 2 in the asymmetric unit. The quantification of inter- and intramolecular interactions are explored by 3D Hirshfeld and 2D fingerprint plots analysis. Log P value suggests better lipophilic nature of the Co-o-phen complex 2 (pyro) than the complex 1 (pyr) and free ligand.
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CCDC 1860245, 2171919 contains the supplementary crystallographic data for Co-o-phen complexes. These data can be obtained free of charge via http://www.ccdc.cam.ac.uk/conts/retrieving.html or from the Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK; fax: 44) 1223–336-033 or email: deposit@ccdc.cam.ac.uk.
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Acknowledgements
We are thankful to DST-FIST, New Delhi, for funding towards the single crystal diffractometer facility at the Department of Physics, Sardar Patel University, Vallabh Vidyanagar. We are thankful to SICART, Vallabh Vidyanagar, for NMR and IR. The authors are also thankful to the Department of Chemistry, Sardar Patel University, for PL and protein (DNA/BSA) binding studies.
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Taruna J. Padariya: conceptualization, data curation, methodology, software, analysis and writing-original draft; Urmila H. Patel: conceptualization, data curation, supervision, writing-review and editing; Sachin B. Pandya: data curation, methodology, analysis; Mohammed Dawood Alalawy: software and formal analysis; Bhavesh N. Socha: software; Bharatkumar D. Patel: formal analysis; Rasmika H. Patel: formal analysis, writing and editing; Ravi A. Dabhi: formal analysis; Bhupesh S. Bhatt: data curation, supervision.
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Highlights
• Synthesized powder Co-o-phen compound shows better luminescence property, higher thermal stability, stronger binding affinity towards CT-DNA and BSA and better inhibitory effect against panel of organisms than that of free o-phen ligand.
• Both the monomeric molecular structure of Co-o-phen complexes in the presence of solvent pyridine(1) and tetrahydropyrrole(2) exhibit similar distorted octahedron geometry with CoN6 coordination .However, a notable differences in the % contribution of different intermolecular interactions confirmed the role of different solvent molecules in the solvated Co-o-phen complexes.
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Padariya, T.J., Patel, U.H., Pandya, S.B. et al. Synthesis, physicochemical, quantitative analysis and crystal structures of two mononuclear diperchlorate cobalt(II) complexes of 1,10-phenanthroline: antimicrobial, cytotoxicity and DNA/BSA interaction studies. Struct Chem 34, 1405–1425 (2023). https://doi.org/10.1007/s11224-022-02093-w
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DOI: https://doi.org/10.1007/s11224-022-02093-w