Abstract
Gout is a common disease in all the world's population, especially the elderly. This study aims to evaluate the effectiveness of the enzyme xanthine oxidase with some metal complexes Schiff-Base, which contain copper and palladium metal atoms, and to compare these compounds with each other as well as with the drug allopurinol, which is commonly used in this disease. It is worth noting that all the compounds were purchased from Turkey with the industrial enzyme xanthine oxidase (XO). The enzyme activity was measured by a spectrophotometer at a wavelength of 295 nm at a rate of five different concentrations for each compound and the absorbance was transferred at specific times to mathematical equations in Microsoft Excel to draw the inhibition curve, through which we obtain values through which we can calculate (half the inhibitory concentration) IC 50. Cheminformatics was used to predict the associations of these compounds with the protein by drawing the compounds using the Chem Office program in three-dimensional form and saving them in the format (PDB) and loading the protein specific to the enzyme from the site (Protein Data Bank) and performing molecular docking between all compounds and the protein using two programs (PyRx) and (Molegro virtual Docker) and determining the hydrogen bonds with the active site of the protein with the ligands and taking the values of (IC50) and comparing them with the practical side and found that they are highly consistent
Keywords
Cheminformatics
Molegro Virtual Docker
PyRx
Xanthine Oxidase inhibition