A Biophysical Study of Ru(II) Polypyridyl Complex, Properties and its Interaction with DNA.

Mononuclear Ru(II)Polypyridyl complexes of type [Ru(A)2BPIIP] (ClO4)2.2H2O, where BPIIP = 2-(3-(4-bromophenyl)isoxazole-5-yl)-1 H-imidazo [4,5-f] [1, 10] phenanthroline and A = bpy = bipyridyl (1), phen = 1,10 Phenanthroline (2), dmb = 4, 4' -dimethyl 2, 2'- bipyridine (3) & dmp = 4,4'-dimethyl-1,10 -Ortho Phenanthroline (4), were synthesized and their antibacterial activity were examined. The synthesized complexes were characterized and their interaction with DNA was studied using Computational and Biophysical methods (Absorption, emission methods, and viscosity). Molecular modelling studies were carried out for molecular geometry and electronic properties (Frontier molecular orbital HOMO-LUMO). The electrostatic potential surface contours for the complexes were analysed to give their nucleophilic level of sensitivity. The study reveals that the Ru(II) Polypyridyl complexes bind to DNA preponderantly by intercalation. The results recommend that the phen and dmp complex have more effective binding ability than the bpy and dmb, indicating the role of the ancillary ligand in determining their specificity for DNA binding. Further molecular docking studies suggested an octahedral geometry and bind to DNA by preferential binding to Guanine. The docking study additionally sustains the binding constant data acquired with the absorption and emission techniques.The results reveal that the nature of the ancillary Ligand plays a considerable role for the intercalation of the Ru(II) polypyridyl complex to DNA, which subsequently influences the antibacterial activity. Biological studies conducted on Gram-Negative (E.coli and K.pneumonia) and Gram-Positive (S. aureus and E. faecalis) bacteria establish that complex 1 and 2 were considerably active against S. aureus and E. coli.