Molecular mechanism prediction analysis of compound Kushen injection in the treatment of COVID-19 based on network pharmacology and molecular docking
Journal Title: Traditional Medicine Research - Year 2020, Vol 5, Issue 5
Abstract
Background: As one of the eight effective traditional Chinese medicines for the treatment of atypical pneumonia, compound Kushen injection (CKI) played an important role in combating pneumonia caused by severe acute respiratory syndrome coronavirus 2 virus in China in 2003. CKI is known to inhibit inflammation, and its main chemical components, namely matrine and oxymatrine, can promote Th cells to recognize and eliminate viruses. In this study, network pharmacology and molecular docking were used to explore the mechanisms of CKI for treating coronavirus disease 2019. Methods: The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform and other related literature were used to screen CKI’s active ingredients in the blood. Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform, Swiss Target Prediction and STITCH were used to search for potential targets of the active ingredients. The “ingredient-target” network was constructed using the Cytoscape software. The STRING online database was used to construct a target protein-protein interaction network that can be visualized and analyzed using the Cytoscape software to obtain key targets. Results: Sophocarpine, sophoridine, matrine, (+)-allomatrine, AIDS211310, and sophranol were the six active ingredients. After docking the active ingredients with severe acute respiratory syndrome coronavirus 2 3CL hydrolase and angiotensin-converting enzyme 2 (ACE2), they displayed suitable affinity, which could block viral replication and its binding to ACE2. The key targets mainly involved inflammatory factors, such as interleukin-6 (IL-6) and tumor necrosis factor (TNF). Gene Ontology enrichment analysis mainly indicated the IL-6 cytokine-mediated signaling pathway and cytokine-mediated signaling pathway. The Kyoto Encyclopedia of Genes and Genome pathway enrichment analysis mainly indicated steroid hormone biosynthesis and the TNF signaling pathway. Conclusion: The alkaloids in CKI can block viral replication and its binding to severe acute respiratory syndrome coronavirus 2 and ACE2 receptors. They regulate the IL-6-mediated signaling pathway, TNF signaling pathway, and steroid hormone biosynthesis, thereby initiating therapeutic responses against coronavirus disease 2019.
Authors and Affiliations
Wan-Ying Zhang, Ying Chen, Miao-Miao Zhang, Guo-Wei Zhang
Keywords
Related Articles
- EP ID EP690216
- DOI 10.12032/TMR20200518180
- Views 172
- Downloads 0
Research on Xijiao Dihuang Decoction suppressing platelet apoptosis in immune-mediated aplastic anemia based on mitochondrial mediated pathway
The aplastic anemia mice model was established in this study. BALB/c mice shall be treated with whole body irradiation with 60 Co-γradiation (5.5Gy, 1.1Gy/min × 5 min). then within 4 h, DBA/2 mice were injected lymphocyt...
Effects and safety of acupuncture for DFUs: a systematic review and meta-analysis
Objective:To systematically evaluate the effect and safety of acupuncture for the treatment of diabetic foot ulcers(DFUs).Methods:Six databases, including Pubmed, Web of Science, EMbase, the Cochrane Library, the Chinese...
Network analysis and molecular docking of the mechanism of Shengmai decoction in treating patients with severe novel coronavirus pneumonia
Background: Studies have shown that, Shengmai injection (Shengmai decoction) which has been included in the diagnosis and treatment of coronavirus disease 2019 (COVID-19), is effective in the early treatment of patients...
Advances in anti-inflammatory and immunoregulatory mechanisms of sinomenine
Sinomenine, a major active ingredient from traditional Chinese medicine Qingfengteng (Sinomenium acutum (Thunb.) Rehd.et Wils.), has been proven to have anti-inflammatory, analgesic, anti-tumor, immunomodulatory and othe...
Challenges and opportunities of applying P4 medicine and traditional Chinese medicine for cancer treatment and prevention in the 21st century: A medical oncologist’s perspectives
Being one of the deadliest diseases, cancer needs a stronger dose of P4 medicine (Predictive, Preventive, Personalized and Participatory) first proposed by Dr. Hood and TCM intervention, as cancer treatment still largely...