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| Exploration of the mechanism of Shenqi Wuweizi Capsule in treating anxiety disorder based on network pharmacology and molecular docking |
| Hits 313 Download times 104 Received:March 26, 2024 |
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| DOI
10.11656/j.issn.1672-1519.2024.06.18 |
| Key Words
Shenqi Wuweizi Capsule;anxiety disorder;network pharmacology;molecular docking;mechanism study |
| Author Name | Affiliation | E-mail | | YAN Jingshun | Graduate School, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Second Affiliated Hospital of Tianjin University of Traditional Chinese Medicine, Tianjin 300250, China | | | ZHU Linping | Second Affiliated Hospital of Tianjin University of Traditional Chinese Medicine, Tianjin 300250, China | zhulinping@tjutcm.edu.cn | | ZHANG Hongxia | Second Affiliated Hospital of Tianjin University of Traditional Chinese Medicine, Tianjin 300250, China | | | LI Wenyue | Graduate School, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Second Affiliated Hospital of Tianjin University of Traditional Chinese Medicine, Tianjin 300250, China | | | LYU Xinliang | Graduate School, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Second Affiliated Hospital of Tianjin University of Traditional Chinese Medicine, Tianjin 300250, China | | | LI Xiaofeng | Second Affiliated Hospital of Tianjin University of Traditional Chinese Medicine, Tianjin 300250, China | | | LI Yuhong | Traditional Chinese Medicine Research Institute, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
State Key Laboratory of Components of Traditional Chinese Medicine, Tianjin 301617, China | yhltcm@126.com |
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| Abstract
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| [Objective] To explore the mechanism of Shenqi Wuweizi Capsule in the treatment of anxiety disorder through network pharmacology and molecular docking technology. [Methods] TCMSP database was used to predict and screen the main bioactive ingredients and their targets of Shenqi Wuweizi Capsule，and integrate with the targets of anxiety disorders which were selected by GeneCards，OMIM，DisGeNET and TTD database. The protein-protein interaction（PPI） network was mapped with String platform，and the gene ontology（GO） annotation function and the Kyoto Encyclopedia of Genes and Genomes（KEGG） pathway enrichment analysis were carried out. Make the network diagram of “drug-composition-target” and “composition-target-pathway” based on Cytoscape software；The Autodock molecular docking technique was used to verify the key target and the key active ingredients in Shenqi Wuweizi Capsule. [Results] The 238 component targets，919 disease targets and 62 intersection targets were obtained，and 19 core targets were selected by CytoNCA plug-in. GO analysis showed that it mainly involved in signal transduction，positive regulation of gene expression，isoprotein binding，extracellular ligand-gated ion channel activity，benzodiazepine receptor activity，etc. KEGG analysis showed that the main enrichment pathways included AGE-RAGE signaling pathway，neuroactive ligand-receptor interaction pathway，fluid shear stress and atherosclerosis pathway. Molecular docking showed that the binding energy of 36 groups of key targets and active ingredients was less than -20.98 kJ/mol，which proved that the binding was good. [Conclusion] Shenqi Wuweizi Capsule can play a role in the treatment of anxiety disorder through multi-component，multi-target and multi-pathway，providing research ideas for the follow-up study of Shenqi Wuweizi Capsule in the treatment of anxiety disorder. |
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