Abstract
Osteonecrosis of the femoral head (ONFH) is a chronic and irreversible disease that has a risk of eventually developing into a joint collapse and resulting in joint dysfunction. Quyushengxin capsule (QYSXC) is an effective and safe traditional Chinese medicine used in the treatment of ONFH. In this present study, an integrated approach was used to investigate the mechanism of QYSXC in the treatment of ONFH, which contained systems pharmacology, molecular docking, and chip experiment. In the systems pharmacology, target fishing, protein-protein interaction (PPI), Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analysis, and herbs-compounds-targets-pathways (H-C-T-P) network construction were performed to study the mechanism of QYSXC in the treatment of ONFH. The results showed that 15 key compounds, 8 key targets, and 8 key signaling pathways were found for QYSXC in the treatment with ONFH. Then, molecular docking was performed to further explore the interaction between some key compounds and key targets. After that, the chip experiment was performed to verify some target factors, including ICAM-1, IL-6, IL-1α, IL-1β, IL-2, IL-4, IL-10, and TNF-α. The results of this work may provide a theoretical basis for further research on the molecular mechanism of QYSXC in the treatment of ONFH.
Highlights
Osteonecrosis of the femoral head (ONFH) is a chronic and irreversible disease that has a risk of eventually developing into a joint collapse and resulting in joint dysfunction [1] and is a common disabling complication among convalescent severe acute respiratory syndrome (SARS) patients who received corticosteroid therapy [2]
Messenger RNA microarray analysis was carried out to analyze the differential expressed genes (DEGs) in OA synovial tissues and normal counterparts, and the results showed that PTGS1 was overexpressed in OA synovial cells and tissues compared with normal synovial cells [35]. ere are many nonsteroidal antiinflammatory drugs in the treatment of osteopathic medicine related to ONFH, which can act on PTGS1 and PTGS2, such as naproxen, rofecoxib, and celecoxib [36,37,38,39]
To further explore the interaction between the key compounds and key targets, molecular docking was performed in this present study. e molecular docking was carried out between 4 key compounds with the highest degree centrality for Quyushengxin capsule (QYSXC) and 3 core targets, namely, PTGS2 (PDB ID: 5IKR), PTGS1 (PDB ID: 6Y3C), and NOS3 (PDB ID: 1M9R), respectively
Summary
Osteonecrosis of the femoral head (ONFH) is a chronic and irreversible disease that has a risk of eventually developing into a joint collapse and resulting in joint dysfunction [1] and is a common disabling complication among convalescent severe acute respiratory syndrome (SARS) patients who received corticosteroid therapy [2]. Studies have shown that 80% of patients with ONFH could develop femoral head collapse after 1 to 4 years without effective treatment. In this case, 87% of patients will be performed an artificial hip replacement [3]. The cause and mechanism of ONFH are still under investigation Chemical drugs, such as mobike, fenbid, and other antiinflammatory drugs, clofibrate, lovastatin, and other lipid scavenger drugs, were used in the early clinical treatment of ONFH [4]. Traditional Chinese medicine (TCM) has increasingly shown its advantages in the treatment with ONFH, and it can effectively improve the symptoms of the patients, control the development of the disease, and improve joint function and the life quality of the patients as well
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