Investigation of photophysical properties and potential biological applications of substituted tris(polypyridyl)ruthenium(II) complexes
The photophysical properties of tris(polypyridyl)ruthenium(II) complex [Ru(dmbpy)3]2+ [dmbpy = 4,4′-dimethyl-2,2′-bipyridine] were investigated and compared with [Ru(bpy)3]2+ following both experimental and computational approaches. The variations in the electronic properties of the complex in the g...
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Frontiers Media S.A.
2025-02-01
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| Series: | Frontiers in Chemistry |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fchem.2025.1491598/full |
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| author | T. Sumitha Celin G. Allen Gnana Raj T. S. Prathima M. M. Balamurali |
| author_facet | T. Sumitha Celin G. Allen Gnana Raj T. S. Prathima M. M. Balamurali |
| author_sort | T. Sumitha Celin |
| collection | DOAJ |
| description | The photophysical properties of tris(polypyridyl)ruthenium(II) complex [Ru(dmbpy)3]2+ [dmbpy = 4,4′-dimethyl-2,2′-bipyridine] were investigated and compared with [Ru(bpy)3]2+ following both experimental and computational approaches. The variations in the electronic properties of the complex in the ground and excited states were determined by density functional theory (DFT) methods, and their effects on the anticancer, antioxidant, and antimicrobial activities were also evaluated by molecular docking and dynamic simulation studies. The potential of these complexes to serve as bioanalytes was investigated by their ability to bind with quinones, the well-known electron mediators in numerous light-driven reactions. Following the above, the anticancer properties were evaluated against breast cancer-related proteins. The results revealed that the complex possesses comparable anticancer and antioxidant potential to that of [Ru(bpy)3]2+. The physical, electronic, and biological properties of this complex depend on the nature of the ligands and the medium of investigation. Herein, the potential applications of [Ru(bpy)3]2+ in clinical diagnostics as antioxidants and therapeutic agents were evaluated. |
| format | Article |
| id | doaj-art-9dd7b0cb0bd24a919cdcf5bb6f4e68d3 |
| institution | Kabale University |
| issn | 2296-2646 |
| language | English |
| publishDate | 2025-02-01 |
| publisher | Frontiers Media S.A. |
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| series | Frontiers in Chemistry |
| spelling | doaj-art-9dd7b0cb0bd24a919cdcf5bb6f4e68d32025-02-03T06:33:47ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462025-02-011310.3389/fchem.2025.14915981491598Investigation of photophysical properties and potential biological applications of substituted tris(polypyridyl)ruthenium(II) complexesT. Sumitha Celin0G. Allen Gnana Raj1T. S. Prathima2M. M. Balamurali3Department of Chemistry and Research Centre, Scott Christian College (Autonomous), Nagercoil, Tamilnadu, IndiaDepartment of Chemistry and Research Centre, Scott Christian College (Autonomous), Nagercoil, Tamilnadu, IndiaDepartment of Chemistry, School of Advanced Sciences, Vellore Institute of Technology, Chennai, Tamilnadu, IndiaDepartment of Chemistry, School of Advanced Sciences, Vellore Institute of Technology, Chennai, Tamilnadu, IndiaThe photophysical properties of tris(polypyridyl)ruthenium(II) complex [Ru(dmbpy)3]2+ [dmbpy = 4,4′-dimethyl-2,2′-bipyridine] were investigated and compared with [Ru(bpy)3]2+ following both experimental and computational approaches. The variations in the electronic properties of the complex in the ground and excited states were determined by density functional theory (DFT) methods, and their effects on the anticancer, antioxidant, and antimicrobial activities were also evaluated by molecular docking and dynamic simulation studies. The potential of these complexes to serve as bioanalytes was investigated by their ability to bind with quinones, the well-known electron mediators in numerous light-driven reactions. Following the above, the anticancer properties were evaluated against breast cancer-related proteins. The results revealed that the complex possesses comparable anticancer and antioxidant potential to that of [Ru(bpy)3]2+. The physical, electronic, and biological properties of this complex depend on the nature of the ligands and the medium of investigation. Herein, the potential applications of [Ru(bpy)3]2+ in clinical diagnostics as antioxidants and therapeutic agents were evaluated.https://www.frontiersin.org/articles/10.3389/fchem.2025.1491598/fulltris(polypyridyl)ruthenium(II) complexesbinding studiesanticancerantioxidantantimicrobial |
| spellingShingle | T. Sumitha Celin G. Allen Gnana Raj T. S. Prathima M. M. Balamurali Investigation of photophysical properties and potential biological applications of substituted tris(polypyridyl)ruthenium(II) complexes Frontiers in Chemistry tris(polypyridyl)ruthenium(II) complexes binding studies anticancer antioxidant antimicrobial |
| title | Investigation of photophysical properties and potential biological applications of substituted tris(polypyridyl)ruthenium(II) complexes |
| title_full | Investigation of photophysical properties and potential biological applications of substituted tris(polypyridyl)ruthenium(II) complexes |
| title_fullStr | Investigation of photophysical properties and potential biological applications of substituted tris(polypyridyl)ruthenium(II) complexes |
| title_full_unstemmed | Investigation of photophysical properties and potential biological applications of substituted tris(polypyridyl)ruthenium(II) complexes |
| title_short | Investigation of photophysical properties and potential biological applications of substituted tris(polypyridyl)ruthenium(II) complexes |
| title_sort | investigation of photophysical properties and potential biological applications of substituted tris polypyridyl ruthenium ii complexes |
| topic | tris(polypyridyl)ruthenium(II) complexes binding studies anticancer antioxidant antimicrobial |
| url | https://www.frontiersin.org/articles/10.3389/fchem.2025.1491598/full |
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