Comparitive Study of Hibiscatin with Quercetin and Lutonarin with Rutin by Using Docking Studies

Hordeum Vulgare Young barley leaves were used to extract lutonarin. Reactive oxygen species removal has been linked to the presence of lutonarin in plants, particularly in leaves. Hibiscatin is a new flavonoid glycoside obtained from Hibiscus Plantifolius. EMDOCK is a graphical –automatic drug design system for docking, screening, and analysis. It's also a programme for calculating ligand shape and orientation concerning the protein's active site. The molecular interactions of Hibiscatin, Lutonarin, Rutin, and Quercetin with anti-oxidant proteins like Catalase (1DGF), Glutathione Reductase (3DK4), and Superoxide Dismutase (5YTO) were studied using Insilco docking simulations (Patel A. K. et al., 2022) The ligands' 2D structure was created and stored in mol format using BIOVIA Draw Software. The ligand structures were optimised and reduced using Avogadro software. The macromolecules were cleansed of water residues and Gasteiger charges were added using Dock Prep in UCF Chimera [1].