Uncovering the Mechanism of Fuzi and Baishao in Treating Rheumatoid Arthritis Using Systems Pharmacology and Molecular Docking

Abstract

Background and Objectives: Traditional Chinese Medicine has been implemented in clinical practice for thousands of years to treat rheumatoid arthritis (RA). Aconitum carmichaelii Debx (Fuzi) and Paeonia lactiflora Pall (Baishao) are a common herb-pair that is used in many herbal prescriptions to treat RA. However, the mechanism of Fuzi and Baishao for treating RA remains unclear. Here, we used a systems pharmacology and molecular docking approach to investigate the mechanism of Fuzi and Baishao in the treatment of RA. Methods:We obtained active compounds and targets through a database search and manual supplementation, followed by network construction and protein-protein interaction construction, which were then verified using molecular docking, Gene Ontology, and Kyoto Encyclopedia of Genes and Genomes analyses. Results:We obtained 56 active compounds (including a duplicate compound), 102 targets, and 54 pathways using our systems approach. The results indicate that both herbs are involved in IL-17 and tumor necrosis factor signaling pathways through albumin, interleukin-6, glyceraldehyde-3-phosphate dehydrogenase, epidermal growth factor receptor, prostaglandin-endoperoxide synthase 2, and other targets in the treatment of RA. After the combination, the number of targets, pathways, and specific targets on pathways increased. Conclusion:This research provides new insight into this particular herb pair and novel research directions for the treatment of RA with Fuzi and Baishao.