Network pharmacology and experimental study of Angelica sinensis and Astragalus membranaceus capsules in treating heart failure
Objective: This study explores the mechanism of AAC in intervening heart failure (HF) using network pharmacology, molecular docking, and in vitro experimental validation. Methods: The “active component-target” network and the “drug-disease target” protein interaction network were constructed using C...
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| Format: | Article |
| Language: | English |
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Elsevier
2024-10-01
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| Series: | Heliyon |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2405844024148827 |
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| author | Xue Wu Ai Liu Xinfang Lv Xiaodong Zhi Xiangting Zeng Kai Liu Xinke Zhao Bing Jiang HuGang Jiang Yingdong Li |
| author_facet | Xue Wu Ai Liu Xinfang Lv Xiaodong Zhi Xiangting Zeng Kai Liu Xinke Zhao Bing Jiang HuGang Jiang Yingdong Li |
| author_sort | Xue Wu |
| collection | DOAJ |
| description | Objective: This study explores the mechanism of AAC in intervening heart failure (HF) using network pharmacology, molecular docking, and in vitro experimental validation. Methods: The “active component-target” network and the “drug-disease target” protein interaction network were constructed using Cytoscape 3.9.0 and STRING Database. GO and KEGG enrichment analysis was performed using DAVID database. Then, the molecular docking of major compounds and target proteins was carried out using Autodock 1.5.7, and visualized with PyMOL 2.4.0 software. Finally, in vitro experimental validation was performed to explore the potential targets of AAC in treating HF. Results: The study revealed significant targets implicated in a variety of GO bioprocess programs and KEGG signaling networks. The primary chemicals to have strong binding ability with target proteins in molecular docking, with quercetin having the best binding energy with MAPK at −6.72 Kcal/Mol.Validation of cellular experiments showed that AAC might reduce the apoptosis that doxorubicin causes in AC16 cells by controlling the levels of PIK3CA, AKT1, and MAPK1. Conclusion: This study preliminarily reveals that AAC can treat HF through multiple components and multiple targets by using network pharmacology, molecular docking, and experimental validation. |
| format | Article |
| id | doaj-art-bf8bf28dc1ab4bcea17f05d05a0a11b1 |
| institution | OA Journals |
| issn | 2405-8440 |
| language | English |
| publishDate | 2024-10-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Heliyon |
| spelling | doaj-art-bf8bf28dc1ab4bcea17f05d05a0a11b12025-08-20T02:13:59ZengElsevierHeliyon2405-84402024-10-011020e3885110.1016/j.heliyon.2024.e38851Network pharmacology and experimental study of Angelica sinensis and Astragalus membranaceus capsules in treating heart failureXue Wu0Ai Liu1Xinfang Lv2Xiaodong Zhi3Xiangting Zeng4Kai Liu5Xinke Zhao6Bing Jiang7HuGang Jiang8Yingdong Li9College of Integrated Traditional Chinese and Western Medicine, Gansu University of Chinese Medicine, Lanzhou, China; Department of Cardiology, The Second Hospital of Lanzhou University, Lanzhou, China; Key Laboratory of Prevention and Treatment for Chronic Diseases by Traditional Chinese Medicine, Affiliated Hospital of Gansu University of Chinese Medicine, Lanzhou, China; The Second Clinical Medical School, Lanzhou University, Lanzhou, ChinaCollege of Integrated Traditional Chinese and Western Medicine, Gansu University of Chinese Medicine, Lanzhou, China; Key Laboratory of Prevention and Treatment for Chronic Diseases by Traditional Chinese Medicine, Affiliated Hospital of Gansu University of Chinese Medicine, Lanzhou, ChinaCollege of Integrated Traditional Chinese and Western Medicine, Gansu University of Chinese Medicine, Lanzhou, China; Key Laboratory of Prevention and Treatment for Chronic Diseases by Traditional Chinese Medicine, Affiliated Hospital of Gansu University of Chinese Medicine, Lanzhou, China; Affiliated Hospital of Gansu University of Chinese Medicine, Lanzhou, ChinaCollege of Integrated Traditional Chinese and Western Medicine, Gansu University of Chinese Medicine, Lanzhou, China; Key Laboratory of Prevention and Treatment for Chronic Diseases by Traditional Chinese Medicine, Affiliated Hospital of Gansu University of Chinese Medicine, Lanzhou, China; Affiliated Hospital of Gansu University of Chinese Medicine, Lanzhou, ChinaThe Second Clinical Medical School, Lanzhou University, Lanzhou, China; Department of General Surgery,The Second Hospital of Lanzhou University, Lanzhou, ChinaCollege of Integrated Traditional Chinese and Western Medicine, Gansu University of Chinese Medicine, Lanzhou, China; Key Laboratory of Prevention and Treatment for Chronic Diseases by Traditional Chinese Medicine, Affiliated Hospital of Gansu University of Chinese Medicine, Lanzhou, China; Affiliated Hospital of Gansu University of Chinese Medicine, Lanzhou, ChinaCollege of Integrated Traditional Chinese and Western Medicine, Gansu University of Chinese Medicine, Lanzhou, China; Key Laboratory of Prevention and Treatment for Chronic Diseases by Traditional Chinese Medicine, Affiliated Hospital of Gansu University of Chinese Medicine, Lanzhou, China; Affiliated Hospital of Gansu University of Chinese Medicine, Lanzhou, ChinaCollege of Integrated Traditional Chinese and Western Medicine, Gansu University of Chinese Medicine, Lanzhou, ChinaCollege of Integrated Traditional Chinese and Western Medicine, Gansu University of Chinese Medicine, Lanzhou, China; Key Laboratory of Prevention and Treatment for Chronic Diseases by Traditional Chinese Medicine, Affiliated Hospital of Gansu University of Chinese Medicine, Lanzhou, ChinaCollege of Integrated Traditional Chinese and Western Medicine, Gansu University of Chinese Medicine, Lanzhou, China; Key Laboratory of Prevention and Treatment for Chronic Diseases by Traditional Chinese Medicine, Affiliated Hospital of Gansu University of Chinese Medicine, Lanzhou, China; Affiliated Hospital of Gansu University of Chinese Medicine, Lanzhou, China; Corresponding author.Objective: This study explores the mechanism of AAC in intervening heart failure (HF) using network pharmacology, molecular docking, and in vitro experimental validation. Methods: The “active component-target” network and the “drug-disease target” protein interaction network were constructed using Cytoscape 3.9.0 and STRING Database. GO and KEGG enrichment analysis was performed using DAVID database. Then, the molecular docking of major compounds and target proteins was carried out using Autodock 1.5.7, and visualized with PyMOL 2.4.0 software. Finally, in vitro experimental validation was performed to explore the potential targets of AAC in treating HF. Results: The study revealed significant targets implicated in a variety of GO bioprocess programs and KEGG signaling networks. The primary chemicals to have strong binding ability with target proteins in molecular docking, with quercetin having the best binding energy with MAPK at −6.72 Kcal/Mol.Validation of cellular experiments showed that AAC might reduce the apoptosis that doxorubicin causes in AC16 cells by controlling the levels of PIK3CA, AKT1, and MAPK1. Conclusion: This study preliminarily reveals that AAC can treat HF through multiple components and multiple targets by using network pharmacology, molecular docking, and experimental validation.http://www.sciencedirect.com/science/article/pii/S2405844024148827Network pharmacologyMolecular dockingAngelica sinensis and Astragalus membranaceus capsuleHeart failure |
| spellingShingle | Xue Wu Ai Liu Xinfang Lv Xiaodong Zhi Xiangting Zeng Kai Liu Xinke Zhao Bing Jiang HuGang Jiang Yingdong Li Network pharmacology and experimental study of Angelica sinensis and Astragalus membranaceus capsules in treating heart failure Heliyon Network pharmacology Molecular docking Angelica sinensis and Astragalus membranaceus capsule Heart failure |
| title | Network pharmacology and experimental study of Angelica sinensis and Astragalus membranaceus capsules in treating heart failure |
| title_full | Network pharmacology and experimental study of Angelica sinensis and Astragalus membranaceus capsules in treating heart failure |
| title_fullStr | Network pharmacology and experimental study of Angelica sinensis and Astragalus membranaceus capsules in treating heart failure |
| title_full_unstemmed | Network pharmacology and experimental study of Angelica sinensis and Astragalus membranaceus capsules in treating heart failure |
| title_short | Network pharmacology and experimental study of Angelica sinensis and Astragalus membranaceus capsules in treating heart failure |
| title_sort | network pharmacology and experimental study of angelica sinensis and astragalus membranaceus capsules in treating heart failure |
| topic | Network pharmacology Molecular docking Angelica sinensis and Astragalus membranaceus capsule Heart failure |
| url | http://www.sciencedirect.com/science/article/pii/S2405844024148827 |
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