Identification of the active substances and mechanisms of ginger for the treatment of colon cancer based on network pharmacology and molecular docking
Abstract Background and objective Colon cancer is occurring at an increasing rate and ginger (Zingiber officinale), as a commonly used herbal medicine, has been suggested as a potential agent for colon cancer. This study was aimed to identify the bioactive components and potential mechanisms of ging...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
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BMC
2021-01-01
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| Series: | BioData Mining |
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| Online Access: | https://doi.org/10.1186/s13040-020-00232-9 |
| _version_ | 1819056329808936960 |
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| author | Meng-Meng Zhang Dan Wang Feng Lu Rong Zhao Xun Ye Lin He Li Ai Chun-Jie Wu |
| author_facet | Meng-Meng Zhang Dan Wang Feng Lu Rong Zhao Xun Ye Lin He Li Ai Chun-Jie Wu |
| author_sort | Meng-Meng Zhang |
| collection | DOAJ |
| description | Abstract Background and objective Colon cancer is occurring at an increasing rate and ginger (Zingiber officinale), as a commonly used herbal medicine, has been suggested as a potential agent for colon cancer. This study was aimed to identify the bioactive components and potential mechanisms of ginger for colon cancer prevention by an integrated network pharmacology approach. Methods The putative ingredients of ginger and its related targets were discerned from the TCMSP and Swiss target prediction database. After that, the targets interacting with colon cancer were collected using Genecards, OMIM, and Drugbank databases. KEGG pathway and GO enrichment analysis were performed to explore the signaling pathways related to ginger for colon cancer treatments. The PPI and compound-target-disease networks were constructed using Cytoscape 3.8.1. Finally, Discovery studio software was employed to confirm the key genes and active components from ginger. Results Six potential active compounds, 285 interacting targets in addition to 1356 disease-related targets were collected, of which 118 intersection targets were obtained. A total of 34 key targets including PIK3CA, SRC, and TP53 were identified through PPI network analysis. These targets were mainly focused on the biological processes of phosphatidylinositol 3-kinase signaling, cellular response to oxidative stress, and cellular response to peptide hormone stimulus. The KEGG enrichment manifested that three signaling pathways were closely related to colon cancer prevention of ginger, cancer, endocrine resistance, and hepatitis B pathways. TP53, HSP90AA1, and JAK2 were viewed as the most important genes, which were validated by molecular docking simulation. Conclusion This study demonstrated that ginger produced preventive effects against colon cancer by regulating multi-targets and multi-pathways with multi-components. And, the combined data provide novel insight for ginger compounds developed as new drug for anti-colon cancer. |
| first_indexed | 2024-12-21T13:21:41Z |
| format | Article |
| id | doaj.art-9ba75ef7f3234ceca665376888d259a5 |
| institution | Directory Open Access Journal |
| issn | 1756-0381 |
| language | English |
| last_indexed | 2024-12-21T13:21:41Z |
| publishDate | 2021-01-01 |
| publisher | BMC |
| record_format | Article |
| series | BioData Mining |
| spelling | doaj.art-9ba75ef7f3234ceca665376888d259a52022-12-21T19:02:34ZengBMCBioData Mining1756-03812021-01-0114111610.1186/s13040-020-00232-9Identification of the active substances and mechanisms of ginger for the treatment of colon cancer based on network pharmacology and molecular dockingMeng-Meng Zhang0Dan Wang1Feng Lu2Rong Zhao3Xun Ye4Lin He5Li Ai6Chun-Jie Wu7School of Pharmacy, Chengdu University of Traditional Chinese MedicineSchool of Pharmacy, Chengdu University of Traditional Chinese MedicineSchool of Pharmacy, Chengdu University of Traditional Chinese MedicineSchool of Pharmacy, Chengdu University of Traditional Chinese MedicineSchool of Pharmacy, Chengdu University of Traditional Chinese MedicineSchool of Pharmacy, Chengdu University of Traditional Chinese MedicineSchool of Ethnic Medicine, Chengdu University of Traditional Chinese MedicineSchool of Pharmacy, Chengdu University of Traditional Chinese MedicineAbstract Background and objective Colon cancer is occurring at an increasing rate and ginger (Zingiber officinale), as a commonly used herbal medicine, has been suggested as a potential agent for colon cancer. This study was aimed to identify the bioactive components and potential mechanisms of ginger for colon cancer prevention by an integrated network pharmacology approach. Methods The putative ingredients of ginger and its related targets were discerned from the TCMSP and Swiss target prediction database. After that, the targets interacting with colon cancer were collected using Genecards, OMIM, and Drugbank databases. KEGG pathway and GO enrichment analysis were performed to explore the signaling pathways related to ginger for colon cancer treatments. The PPI and compound-target-disease networks were constructed using Cytoscape 3.8.1. Finally, Discovery studio software was employed to confirm the key genes and active components from ginger. Results Six potential active compounds, 285 interacting targets in addition to 1356 disease-related targets were collected, of which 118 intersection targets were obtained. A total of 34 key targets including PIK3CA, SRC, and TP53 were identified through PPI network analysis. These targets were mainly focused on the biological processes of phosphatidylinositol 3-kinase signaling, cellular response to oxidative stress, and cellular response to peptide hormone stimulus. The KEGG enrichment manifested that three signaling pathways were closely related to colon cancer prevention of ginger, cancer, endocrine resistance, and hepatitis B pathways. TP53, HSP90AA1, and JAK2 were viewed as the most important genes, which were validated by molecular docking simulation. Conclusion This study demonstrated that ginger produced preventive effects against colon cancer by regulating multi-targets and multi-pathways with multi-components. And, the combined data provide novel insight for ginger compounds developed as new drug for anti-colon cancer.https://doi.org/10.1186/s13040-020-00232-9GingerColon cancerGO enrichmentKEGG enrichmentMolecular docking1-Monolinolein |
| spellingShingle | Meng-Meng Zhang Dan Wang Feng Lu Rong Zhao Xun Ye Lin He Li Ai Chun-Jie Wu Identification of the active substances and mechanisms of ginger for the treatment of colon cancer based on network pharmacology and molecular docking BioData Mining Ginger Colon cancer GO enrichment KEGG enrichment Molecular docking 1-Monolinolein |
| title | Identification of the active substances and mechanisms of ginger for the treatment of colon cancer based on network pharmacology and molecular docking |
| title_full | Identification of the active substances and mechanisms of ginger for the treatment of colon cancer based on network pharmacology and molecular docking |
| title_fullStr | Identification of the active substances and mechanisms of ginger for the treatment of colon cancer based on network pharmacology and molecular docking |
| title_full_unstemmed | Identification of the active substances and mechanisms of ginger for the treatment of colon cancer based on network pharmacology and molecular docking |
| title_short | Identification of the active substances and mechanisms of ginger for the treatment of colon cancer based on network pharmacology and molecular docking |
| title_sort | identification of the active substances and mechanisms of ginger for the treatment of colon cancer based on network pharmacology and molecular docking |
| topic | Ginger Colon cancer GO enrichment KEGG enrichment Molecular docking 1-Monolinolein |
| url | https://doi.org/10.1186/s13040-020-00232-9 |
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