Study on the mechanism of Lu’an GuaPian tea in treating heart failure based on network pharmacology and molecular docking
ABSTRACTObjective The study was to investigate the possible mechanism of Lu'an GuaPian tea in treating heart failure (HF) via network pharmacology and molecular docking.Method The target of Lu'an GuaPian tea were screened. The GeneCards, NCBI, and DisGeNET databases were searched for HF ta...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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Taylor & Francis Group
2023-12-01
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| Series: | Food and Agricultural Immunology |
| Subjects: | |
| Online Access: | https://www.tandfonline.com/doi/10.1080/09540105.2023.2231173 |
| _version_ | 1797447861274673152 |
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| author | Fang Hua Ling-li Shi Peng Zhou |
| author_facet | Fang Hua Ling-li Shi Peng Zhou |
| author_sort | Fang Hua |
| collection | DOAJ |
| description | ABSTRACTObjective The study was to investigate the possible mechanism of Lu'an GuaPian tea in treating heart failure (HF) via network pharmacology and molecular docking.Method The target of Lu'an GuaPian tea were screened. The GeneCards, NCBI, and DisGeNET databases were searched for HF targets. The GO and KEGG pathway analysis were used to obtain the targets and pathways. Molecular docking was used to verify the most likely targets and flavonoids.Results The Venn diagram revealed that AKT1, TNF, SRC, EGFR, ESR1, PTGS2, MMP9, and KDR were the top 8 target genes. GO and KEGG analysis suggested that Lu'an GuaPian tea could treat HF through PI3K-Akt pathway. Molecular docking predicted that compounds 1 and 7 have the highest binding affinity.Conclusion Lu'an GuaPian tea can be used to treat HF via PI3K-Akt signaling pathway, and the compound 1 and 7 were the most active lead compounds for regulating PI3K. |
| first_indexed | 2024-03-09T14:02:05Z |
| format | Article |
| id | doaj.art-8f4a36de94cc477396631341a349a02c |
| institution | Directory Open Access Journal |
| issn | 0954-0105 1465-3443 |
| language | English |
| last_indexed | 2024-03-09T14:02:05Z |
| publishDate | 2023-12-01 |
| publisher | Taylor & Francis Group |
| record_format | Article |
| series | Food and Agricultural Immunology |
| spelling | doaj.art-8f4a36de94cc477396631341a349a02c2023-11-30T06:57:34ZengTaylor & Francis GroupFood and Agricultural Immunology0954-01051465-34432023-12-0134110.1080/09540105.2023.2231173Study on the mechanism of Lu’an GuaPian tea in treating heart failure based on network pharmacology and molecular dockingFang Hua0Ling-li Shi1Peng Zhou2School of Pharmacy, Anhui Xinhua University, Anhui, People’s Republic of ChinaSchool of Pharmacy, Anhui Xinhua University, Anhui, People’s Republic of ChinaDepartment of Integrated Traditional Chinese and Western Medicine, Anhui University of Chinese Medicine, Anhui, People’s Republic of ChinaABSTRACTObjective The study was to investigate the possible mechanism of Lu'an GuaPian tea in treating heart failure (HF) via network pharmacology and molecular docking.Method The target of Lu'an GuaPian tea were screened. The GeneCards, NCBI, and DisGeNET databases were searched for HF targets. The GO and KEGG pathway analysis were used to obtain the targets and pathways. Molecular docking was used to verify the most likely targets and flavonoids.Results The Venn diagram revealed that AKT1, TNF, SRC, EGFR, ESR1, PTGS2, MMP9, and KDR were the top 8 target genes. GO and KEGG analysis suggested that Lu'an GuaPian tea could treat HF through PI3K-Akt pathway. Molecular docking predicted that compounds 1 and 7 have the highest binding affinity.Conclusion Lu'an GuaPian tea can be used to treat HF via PI3K-Akt signaling pathway, and the compound 1 and 7 were the most active lead compounds for regulating PI3K.https://www.tandfonline.com/doi/10.1080/09540105.2023.2231173Lu’an GuaPian teaHeart failureNetwork pharmacologyMolecular dockingPI3K/AKT signalling pathwayFlavonoid |
| spellingShingle | Fang Hua Ling-li Shi Peng Zhou Study on the mechanism of Lu’an GuaPian tea in treating heart failure based on network pharmacology and molecular docking Food and Agricultural Immunology Lu’an GuaPian tea Heart failure Network pharmacology Molecular docking PI3K/AKT signalling pathway Flavonoid |
| title | Study on the mechanism of Lu’an GuaPian tea in treating heart failure based on network pharmacology and molecular docking |
| title_full | Study on the mechanism of Lu’an GuaPian tea in treating heart failure based on network pharmacology and molecular docking |
| title_fullStr | Study on the mechanism of Lu’an GuaPian tea in treating heart failure based on network pharmacology and molecular docking |
| title_full_unstemmed | Study on the mechanism of Lu’an GuaPian tea in treating heart failure based on network pharmacology and molecular docking |
| title_short | Study on the mechanism of Lu’an GuaPian tea in treating heart failure based on network pharmacology and molecular docking |
| title_sort | study on the mechanism of lu an guapian tea in treating heart failure based on network pharmacology and molecular docking |
| topic | Lu’an GuaPian tea Heart failure Network pharmacology Molecular docking PI3K/AKT signalling pathway Flavonoid |
| url | https://www.tandfonline.com/doi/10.1080/09540105.2023.2231173 |
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