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ORIGINAL RESEARCH article
Front. Chem.
Sec. Medicinal and Pharmaceutical Chemistry
Volume 12 - 2024 |
doi: 10.3389/fchem.2024.1415390
This article is part of the Research Topic Integration of Computational and Experimental Methods to Discover Natural Metabolites for Treating Various Human Diseases View all 6 articles
Exploring the Mechanism of Tetramethylpyrazine in the Treatment of Osteoarthritis Based on Network Pharmacology
Provisionally accepted- 1 Shandong Second Medical University, Weifang, China
- 2 Shanghai Fifth People's Hospital, Fudan University, Shanghai, Shanghai Municipality, China
Background: Osteoarthritis(OA) is the most common joint disease, which mainly damages articular cartilage and involves the whole joint tissue. It has the characteristics of long course, repeated symptoms and high disability rate, and the incidence trend is gradually increasing. Tetramethylpyrazine(TMP) is the main alkaloid active substance in Ligusticum wallichii, a traditional Chinese medicine, which has the effect of promoting blood circulation and dredging collaterals, and has a good effect on the treatment of early OA, but its molecular mechanism has not been fully clarified so far. Based on network pharmacology, molecular docking simulation and animal experiments, this study explored the target and molecular mechanism of TMP in the treatment of OA.We used PubChem, SwissTargetPrediction, and PharmMapper databases to predict the molecular structure and potential targets of TMP. GeneCards and DisGeNET databases were used to predict the relevant targets of OA. Apply UniProt database to convert targets into unified gene names, and proofread and remove duplicate gene names. The intersection targets of TMP and OA obtained on venny2.1.0 website were submitted to the STRING database to construct a PPI network. CytoScape 3.8.2 software was used to analyze the PPI network and obtain the sub-network modules and 10 key targets. The intersection targets of TMP and OA were analyzed by Kyoto
Keywords: Osteoarthritis, Network Pharmacology, Tetramethylpyrazine, Molecular Docking Simulation, Bioinformatics analysis
Received: 10 Apr 2024; Accepted: 21 Oct 2024.
Copyright: © 2024 Li, Daiying, Li, Wang, Sun, Li, Lin, Wang, Zhou and Liu. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
* Correspondence:
Baihui Li, Shandong Second Medical University, Weifang, China
Yajie Wang, Shandong Second Medical University, Weifang, China
Qinglin Li, Shandong Second Medical University, Weifang, China
Xiangming Lin, Shanghai Fifth People's Hospital, Fudan University, Shanghai, Shanghai Municipality, China
Di Wang, Shandong Second Medical University, Weifang, China
Guangdong Zhou, Shandong Second Medical University, Weifang, China
Yu Liu, Shandong Second Medical University, Weifang, China
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