Elucidation of the Mechanism of Action of Kidney Disease Main Formula in the Treatment of Immunoglobulin A Nephropathy Based on Molecular Docking Technology

Objective To explore the potential mechanism of kidney disease main formula in treating immunoglobulin A (IgA) nephropathy using molecular docking technology, and to provide molecular pharmacology evidence for its clinical application. Methods The main active ingredients and targets of kidney disease main formula, as well as the protein structures of core targets of IgA nephropathy, were downloaded from databases. Molecular docking analysis was performed using AutoDock Tools 1.5.6 software. The binding activity between active ingredients and target proteins was evaluated by docking scores, and the results were visualized using PyMOL 2.5.2 software. Results The primary active ingredients of kidney disease main formula for treating IgA nephropathy were quercetin, kaempferol and hederagenin. The main targets included tumor necrosis factor, interferon-γ and intercellular adhesion molecule 1. These are primarily involved in processes such as oxidative stress, inflammatory response, and glycosylation product metabolism. Conclusion The kidney disease main formula exerts a therapeutic effect on IgA nephropathy by acting on multiple targets of IgA nephropathy through various active ingredients, and mediating multiple signaling pathways.