Investigation of the Anti-Lung Cancer Mechanisms of <i>Taraxacum officinale</i> Based on Network Pharmacology and Multidimensional Experimental Validation
<b>Background:</b><i>Taraxacum officinale</i>(commonly known as dandelion) is a medicinal and edible plant, with the entire plant being used for therapeutic purposes. Studies have demonstrated that dandelion exhibits inhibitory effects against various types of cancer. However...
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MDPI AG
2025-04-01
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| Series: | Pharmaceuticals |
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| author | Jianing Liu Hailing Yang Ran Liu Dongjin Sun Yongbao Liu Jing Lu Jinbiao Liu Junrui Lu |
| author_facet | Jianing Liu Hailing Yang Ran Liu Dongjin Sun Yongbao Liu Jing Lu Jinbiao Liu Junrui Lu |
| author_sort | Jianing Liu |
| collection | DOAJ |
| description | <b>Background:</b><i>Taraxacum officinale</i>(commonly known as dandelion) is a medicinal and edible plant, with the entire plant being used for therapeutic purposes. Studies have demonstrated that dandelion exhibits inhibitory effects against various types of cancer. However, research on its potential for lung cancer (LC) treatment is limited, and the specific compounds responsible for its anticancer effects, as well as the underlying mechanisms, remain unclear. <b>Methods</b>: This study aimed to elucidate the underlying pharmacological mechanisms by which dandelion exerts therapeutic effects against LC. Initially, active compounds of dandelion and their corresponding targets were retrieved from public databases. Subsequently, network pharmacology approaches were applied to identify LC-associated disease targets. By integrating drug-specific targets and disease-related targets, a comprehensive dandelion–lung cancer interaction network was established. Protein–protein interaction (PPI) analyses and functional enrichment studies were further performed to uncover potential molecular mechanisms. Additionally, molecular docking and molecular dynamics (MD) simulations were conducted to evaluate binding interactions between critical active constituents and core targets. To experimentally validate these findings, in vitro cellular assays combined with scanning electron microscopy (SEM) were employed to investigate the anticancer effects of taraxasterol, a key bioactive sterol compound isolated from dandelion, on LC cells. <b>Results</b>: Our analyses identified 58 active compounds in dandelion linked to 614 potential targets, of which 228 targets were associated with LC. The PPI network highlighted 16 core targets, notably TP53, CASP3 and EGFR. Functional enrichment analysis suggested that dandelion might exert its anticancer effects by modulating the tumor microenvironment through the regulation of these critical targets. Molecular docking results demonstrated stable binding interactions between major active compounds and the identified core targets. Furthermore, the anticancer activity of taraxasterol was experimentally validated through in vitro assays and SEM-based morphological assessments, confirming its inhibitory effects on A549 lung cancer cells. <b>Conclusions</b>: Collectively, our findings reveal a multi-targeted therapeutic mechanism of dandelion against LC and support its potential development as a novel natural candidate for lung cancer treatment. |
| format | Article |
| id | doaj-art-73a06b45eb4d4b54824c35b89c367cfd |
| institution | OA Journals |
| issn | 1424-8247 |
| language | English |
| publishDate | 2025-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Pharmaceuticals |
| spelling | doaj-art-73a06b45eb4d4b54824c35b89c367cfd2025-08-20T02:34:01ZengMDPI AGPharmaceuticals1424-82472025-04-0118566310.3390/ph18050663Investigation of the Anti-Lung Cancer Mechanisms of <i>Taraxacum officinale</i> Based on Network Pharmacology and Multidimensional Experimental ValidationJianing Liu0Hailing Yang1Ran Liu2Dongjin Sun3Yongbao Liu4Jing Lu5Jinbiao Liu6Junrui Lu7School of Chemical Engineering and Technology, Tianjin University of Technology, Tianjin 300384, ChinaSchool of Chemical Engineering and Technology, Tianjin University of Technology, Tianjin 300384, ChinaSchool of Chemical Engineering and Technology, Tianjin University of Technology, Tianjin 300384, ChinaSchool of Chemical Engineering and Technology, Tianjin University of Technology, Tianjin 300384, ChinaSchool of Chemical Engineering and Technology, Tianjin University of Technology, Tianjin 300384, ChinaAnalysis and Testing Center, Tianjin University of Technology, Tianjin 300384, ChinaAnalysis and Testing Center, Tianjin University of Technology, Tianjin 300384, ChinaSchool of Chemical Engineering and Technology, Tianjin University of Technology, Tianjin 300384, China<b>Background:</b><i>Taraxacum officinale</i>(commonly known as dandelion) is a medicinal and edible plant, with the entire plant being used for therapeutic purposes. Studies have demonstrated that dandelion exhibits inhibitory effects against various types of cancer. However, research on its potential for lung cancer (LC) treatment is limited, and the specific compounds responsible for its anticancer effects, as well as the underlying mechanisms, remain unclear. <b>Methods</b>: This study aimed to elucidate the underlying pharmacological mechanisms by which dandelion exerts therapeutic effects against LC. Initially, active compounds of dandelion and their corresponding targets were retrieved from public databases. Subsequently, network pharmacology approaches were applied to identify LC-associated disease targets. By integrating drug-specific targets and disease-related targets, a comprehensive dandelion–lung cancer interaction network was established. Protein–protein interaction (PPI) analyses and functional enrichment studies were further performed to uncover potential molecular mechanisms. Additionally, molecular docking and molecular dynamics (MD) simulations were conducted to evaluate binding interactions between critical active constituents and core targets. To experimentally validate these findings, in vitro cellular assays combined with scanning electron microscopy (SEM) were employed to investigate the anticancer effects of taraxasterol, a key bioactive sterol compound isolated from dandelion, on LC cells. <b>Results</b>: Our analyses identified 58 active compounds in dandelion linked to 614 potential targets, of which 228 targets were associated with LC. The PPI network highlighted 16 core targets, notably TP53, CASP3 and EGFR. Functional enrichment analysis suggested that dandelion might exert its anticancer effects by modulating the tumor microenvironment through the regulation of these critical targets. Molecular docking results demonstrated stable binding interactions between major active compounds and the identified core targets. Furthermore, the anticancer activity of taraxasterol was experimentally validated through in vitro assays and SEM-based morphological assessments, confirming its inhibitory effects on A549 lung cancer cells. <b>Conclusions</b>: Collectively, our findings reveal a multi-targeted therapeutic mechanism of dandelion against LC and support its potential development as a novel natural candidate for lung cancer treatment.https://www.mdpi.com/1424-8247/18/5/663<i>Taraxacum officinale</i>taraxasterollung cancernetwork pharmacologymolecular dockingmolecular dynamics simulation |
| spellingShingle | Jianing Liu Hailing Yang Ran Liu Dongjin Sun Yongbao Liu Jing Lu Jinbiao Liu Junrui Lu Investigation of the Anti-Lung Cancer Mechanisms of <i>Taraxacum officinale</i> Based on Network Pharmacology and Multidimensional Experimental Validation Pharmaceuticals <i>Taraxacum officinale</i> taraxasterol lung cancer network pharmacology molecular docking molecular dynamics simulation |
| title | Investigation of the Anti-Lung Cancer Mechanisms of <i>Taraxacum officinale</i> Based on Network Pharmacology and Multidimensional Experimental Validation |
| title_full | Investigation of the Anti-Lung Cancer Mechanisms of <i>Taraxacum officinale</i> Based on Network Pharmacology and Multidimensional Experimental Validation |
| title_fullStr | Investigation of the Anti-Lung Cancer Mechanisms of <i>Taraxacum officinale</i> Based on Network Pharmacology and Multidimensional Experimental Validation |
| title_full_unstemmed | Investigation of the Anti-Lung Cancer Mechanisms of <i>Taraxacum officinale</i> Based on Network Pharmacology and Multidimensional Experimental Validation |
| title_short | Investigation of the Anti-Lung Cancer Mechanisms of <i>Taraxacum officinale</i> Based on Network Pharmacology and Multidimensional Experimental Validation |
| title_sort | investigation of the anti lung cancer mechanisms of i taraxacum officinale i based on network pharmacology and multidimensional experimental validation |
| topic | <i>Taraxacum officinale</i> taraxasterol lung cancer network pharmacology molecular docking molecular dynamics simulation |
| url | https://www.mdpi.com/1424-8247/18/5/663 |
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