Nano-Crystallites of Ruthenium(III) Violurate Complex: Synthesis, Characterization, PXRD and DFT Structural Analysis. DNA/ HSA -Binding, Antiviral Activity Against COVID-19 and Molecular Docking Study

Bis-(violurate) - based ruthenium(III) complex was synthesized in a pure form as nano-crystallites. Mass spectrum, elemental and thermal analysis as well as molar conductance measurements assigned the molecular formula [Ru(VA)2ClH2O]. FTIR, UV-Vis, magnetic moment and ESR investigations suggested the structural formula as a distorted octahedron. Structural analysis by DFT calculations and processing of PXRD data by the computer program Expo 2014 confirmed the proposed structure. Electronic and emission spectroscopy in addition to viscosity measurements displayed the greater binding capability of [Ru(VA)2ClH2O] complex towards the studied biomolecules DNA and HAS as compared to uncomplexed violuric acid (VA). In vitro antiviral investigations against SARS-CoV-2 of violuric acid and Ru(III) complex revealed greater activity in the case of the latter. Molecular docking studies reported that [Ru(VA)2ClH2O] binds more strongly to the spike protein of the tested virus cells (Vero-E6 cells), DNA, and HSA than to the uncomplexed bis-(violurate) ligand system consistent with the experimental results.

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