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| Discussion on the molecular mechanism of Xiaoqinglong Decoction in the treatment of acute exacerbation of chronic obstructive pulmonary disease based on integrative pharmacology and molecular docking technology#br# |
| HAN Dongwei YANG Qinqin WANG Lifang LIANG Xin ZHANG Hongbo ZHANG Weijun |
| Basic Medical College of Heilongjiang University of Chinese Medicine Key Laboratory of Basic and Applied Research of Bei Medicine, Heilongjiang Province, Harbin 150040, China |
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Abstract Objective To explore the molecular mechanism of Xiaoqinglong Decoction in the treatment of acute exacerbation of chronic obstructive pulmonary disease (AECOPD) by integrating pharmacology and molecular docking technology. Methods Components and targets of Xiaoqinglong Decoction were retrieved by integrative pharmacology-based research platform of traditional Chinese medicine V2.0 database, and the targets related to AECOPD were queried by using GeneCards and OMIM databases. Protein-protein interaction network was performed by using STRING database. The multidimensional network diagram of “prescription-active ingredient-core target-phenotype-disease” was constructed by using Cytoscape 3.7.2 software. The active ingredients and the core targets were performed to molecular docking by using AutoDock software. Results A total of 41 components and 23 core targets of Xiaoqinglong Decoction were retrieved. Gene ontology and Kyoto encyclopedia of genes and genomes enrichment analysis indicated that core targets were mostly involved in biological processes such as inflammation and immunity, oxidative stress, and energy metabolism. Molecular docking showed that paeoniflorin dione, isoglycyrrhizin, and 2，4，4’-trihydroxychalcone had high affinity with epidermal growth factor, Akt kinase 1, and tumor necrosis factor. Conclusion The potential active components and targets of Xiaoqinglong Decoction in the treatment of AECOPD are initially screened, its multi-component and multi-target effects mainly improve AECOPD process through biological processes such as inflammation and immunity, oxidative stress, and energy metabolism.
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| Cite this article: |
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HAN Dongwei YANG Qinqin WANG Lifang LIANG Xin ZHANG Hongbo ZHANG Weijun. Discussion on the molecular mechanism of Xiaoqinglong Decoction in the treatment of acute exacerbation of chronic obstructive pulmonary disease based on integrative pharmacology and molecular docking technology#br#[J]. 中国医药导报, 2022, 19(10): 20-24.
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| URL: |
| https://www.yiyaodaobao.com.cn/EN/ OR https://www.yiyaodaobao.com.cn/EN/Y2022/V19/I10/20 |
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