The final, formatted version of the article will be published soon.
ORIGINAL RESEARCH article
Front. Pharmacol.
Sec. Ethnopharmacology
Volume 15 - 2024 |
doi: 10.3389/fphar.2024.1380335
Integrated approach with UHPLC-Q-Exactive-tandem mass spectrometry, network analysis, and molecular docking to determine potential active compounds and mechanisms of Rhizoma Musae decoction in osteoarthritis treatment
Provisionally accepted- 1 GuiZhou Institute of Subtropical Crops, Guizhou Academy of Agricultural Sciences, Guiyang, China
- 2 Research and Development Department, Guizhou Weikang Zifan Pharmaceutical Co., Ltd, Guiyang, China
Objective: This study aimed to identify the potential active compounds in Rhizoma Musae decoction and understand their mechanisms of action in osteoarthritis treatment.Methods: UHPLC-Q-Exactive-MS/MS technology was used for an in-depth analysis of the chemical compounds present in Rhizoma Musae decoction. A network analysis approach was used to construct a comprehensive network of compounds, targets, and pathways, which provided insights into the molecular mechanisms of Rhizoma Musae decoction in osteoarthritis treatment.Results: The integrated analysis revealed the presence of 534 chemical compounds in Rhizoma Musae decoction, with 7beta-hydroxyrutaecarpine, 7,8-dihydroxycoumarin, pinocembrin diacetate, and scopoletin being identified as potential active compounds. Potential targets such as GAPDH, AKT1, TNF, IL6, and SRC were implicated in key pathways including MAPK signaling pathway, lipid and atherosclerosis, PI3K-Akt signaling pathway, and IL-17 signaling pathway. Molecular docking studies showed significant binding affinity between the core targets and key components. In vitro cell experiments have demonstrated that RM decoction can enhance cell proliferation and upregulates the expression of TNFα, IL-6, and SRC, while down-regulating the expression of GAPDH and AKT1. Conclusion: The potential active compounds present in Rhizoma Musae decoction influence specific targets and signaling pathways involved in osteoarthritis pathogenesis, providing new insights for the functional development and utilization of RM.
Keywords: Rhizoma Musae decoction, UHPLC-Q-Exactive-MS/MS, Network analysis, Osteoarthritis, Signaling Pathways
Received: 01 Feb 2024; Accepted: 03 Sep 2024.
Copyright: © 2024 Zhang, Shen, Liu, He, Han and Luo. 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:
Jian Zhang, GuiZhou Institute of Subtropical Crops, Guizhou Academy of Agricultural Sciences, Guiyang, China
Disclaimer: All claims expressed in this article are solely those of the authors and do not necessarily represent those of their affiliated organizations, or those of the publisher, the editors and the reviewers. Any product that may be evaluated in this article or claim that may be made by its manufacturer is not guaranteed or endorsed by the publisher.