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| To investigate the mechanism of Gualoupi Injection in the treatment of coronary heart disease based on network pharmacology and molecular docking |
| Hits 287 Download times 82 Received:October 17, 2023 |
| View Full Text View/Add Comment Download reader |
| DOI
10.11656/j.issn.1673-9043.2024.03.01 |
| Key Words
network pharmacology;molecular docking;Gualoupi Injection;coronary heart disease;action target |
| Author Name | Affiliation | E-mail | | CAO Xiaoxia | State Key Laboratory of Component-based Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Haihe Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | BIAN Ziyan | State Key Laboratory of Component-based Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Haihe Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | DING Jinguo | SPH No.1 Biochemical & Pharmaceutical Co. Ltd., Shanghai 200240, China | | | DONG Ying | SPH No.1 Biochemical & Pharmaceutical Co. Ltd., Shanghai 200240, China | | | ZHANG Yue | State Key Laboratory of Component-based Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Haihe Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | LI Yuhong | State Key Laboratory of Component-based Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Haihe Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | JIANG Miaomiao | State Key Laboratory of Component-based Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Haihe Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | CHANG Yanxu | State Key Laboratory of Component-based Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Haihe Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | ZHANG Peng | State Key Laboratory of Component-based Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Haihe Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | zhangpeng@tjutcm.edu.cn |
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| Abstract
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| [Objective] To explore the molecular mechanism of Gualoupi Injection in the treatment of coronary heart disease （CHD） by network pharmacology and molecular docking methods. [Methods] Firstly，the main chemical components in Gualoupi Injection were summarized by reviewing the literature，and the active components were screened and the target of this injection was predicted by the Traditional Chinese Medicine Systematic Pharmacology Database and Analysis Platform （TCMSP） and SwissADME database. The core target was obtained by intersections with the related targets of CHD obtained from GeneCards database and OMIM database. Secondly，the target protein interaction network was constructed by String database，Cytoscape 3.7.2 software constructed protein interaction network and “Related active ingredients-Potential Target” network were introduced into the conversion format，and key target proteins and active ingredients were analyzed. Then the target genes were enriched by GO function and KEGG pathway through Metascape database. Finally，AutoDock Vina software was used to perform molecular docking between active ingredients and core targets tovirtually verify the accuracy of network pharmacological prediction. [Results] In this study，10 possible related active ingredients and 7 core targets of Gualoupi Injection in the treatment of CHD were obtained. The active ingredients of Gualoupi Injection may regulate the core targets such as AKT1，EGFR，SRC，HSP90AA1，CASP3，ESR1，PLG and other signaling pathways such as MAPK，IL-17，FoxO pathway to achieve the therapeutic effect of CHD. Molecular docking results showed that the active component was stable in binding with key target proteins，and AKT1 was more stable in binding with 3，29-dibenzoyloxy- karounidiol，cynaroside and quercetrin. [Conclusion] Gualoupi Injection may intervene in CHD through multi-target and multi-pathway，providing a theoretical basis for further revealing the pharmacological mechanism of Gualoupi Injection. |
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