Virtual Screening and Multi-targets Investigation of Novel Diazine Derivativesas Potential Xanthine Oxidase Inhibitors Based on QSAR, MolecularDocking, ADMET Properties, Dynamics Simulation and NetworkPharmacology

Through the combination of different methods, we have discovered five novel promising diazine derivatives as potential multi-target XOIs drugs. Meanwhile, eight targets have been found to be helpful in the research on therapeutic hyperuricemia. We expect this investigation will offer clear insights into the production of efficient XOIs drugs.