Correlation Between Molecular Modelling and Spectroscopic Techniques in Investigation With DNA Binding Interaction of Ruthenium(II) Complexes
| Autor: | Yata Praveen Kumar, Penumaka Nagababu, C. Shobha Devi, B. Thulasiram, Rajeshwar Rao Aerva, Sirasani Satyanarayana |
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| Rok vydání: | 2016 |
| Předmět: |
Models
Molecular Sociology and Political Science Stereochemistry Base pair Clinical Biochemistry Intercalation (chemistry) chemistry.chemical_element 010402 general chemistry 01 natural sciences Biochemistry Ruthenium Organometallic Compounds Nucleotide Binding site Spectroscopy Group 2 organometallic chemistry chemistry.chemical_classification Binding Sites 010405 organic chemistry DNA Binding constant 0104 chemical sciences Clinical Psychology Crystallography X-Ray Absorption Spectroscopy chemistry Titration Law Social Sciences (miscellaneous) |
| Zdroj: | Journal of fluorescence. 27(2) |
| ISSN: | 1573-4994 |
| Popis: | The DNA binding studies of rutheniumu(II) polypyridyl complexes {[Ru(phen)2Mipc]2+, [Ru(bpy)2Mipc]2+, [Ru(dmb)2Mipc]2+, [Ru(phen)2BrIPC]2+, [Ru(bpy)2BrIPC]2+, [Ru(dmb)2BrIPC]2+, [Ru(phen)2PIP-Cl]2+, [Ru(bpy)2PIP-Cl]2+, [Ru(dmb)2PIP-Cl]2+, [Ru(phen)2IPPBA]2+, [Ru(bpy)2IPPBA]2+, [Ru(dmb)2IPPBA]2+} with DNA investigated by electronic absorption titration, emission and molecular modelling studies to identify the binding interactions. All these complexes are showing good binding constant values ~104 to 105. The intercalative ligands makes the binding of the ruthenium(II) complex with DNA as intercalation mode. The ancillary ligands 1,10-phenanthroline (phen), 4,4'-Dimethyl-2,2'-dipyridyl (dmb) and 2,2'-dipyridine (bpy) having been discovered found to be involved in bond formation with the phosphate backbone of nucleotide base pairs in ruthenium(II) complex-DNA docked complex. The molecular docking results are good agreement with experimental results. The molecular modelling technic should help to extend knowledge about the nature (or) mode of binding of these ruthenium(II) complexes with (calf thymus) CT-DNA. |
| Databáze: | OpenAIRE |
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