Network Pharmacology and Molecular Docking–Based Investigation: Prunus mume Against Colorectal Cancer via Silencing RelA Expression
Colorectal cancer (CRC) is one of the most pervasive cancers in the human disease spectrum worldwide, ranked the second most common cause of cancer death by the end of 2020. Prunus mume (PM) is an essential traditional Chinese medicine for the adjuvant treatment of solid tumors, including CRC. In th...
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2021-11-01
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| Series: | Frontiers in Pharmacology |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fphar.2021.761980/full |
| _version_ | 1828956500820754432 |
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| author | Minfeng Zhou Jinxiao Li Dan Luo Haiming Zhang Zhaomin Yu Youlin Chen Qiumeng Li Fengxia Liang Rui Chen |
| author_facet | Minfeng Zhou Jinxiao Li Dan Luo Haiming Zhang Zhaomin Yu Youlin Chen Qiumeng Li Fengxia Liang Rui Chen |
| author_sort | Minfeng Zhou |
| collection | DOAJ |
| description | Colorectal cancer (CRC) is one of the most pervasive cancers in the human disease spectrum worldwide, ranked the second most common cause of cancer death by the end of 2020. Prunus mume (PM) is an essential traditional Chinese medicine for the adjuvant treatment of solid tumors, including CRC. In the current study, we utilize means of network pharmacology, molecular docking, and multilayer experimental verification to research mechanism. The five bioactive compounds and a total of eight critical differentially expressed genes are screened out using the bioinformatics approaches of Cytoscape software, String database, Gene Ontology analysis, Kyoto Encyclopedia of Genes and Genomes pathways, and molecular docking. RelA has been proven to be highly expressed in CRC. Experiments in vitro have shown that kaempferol, the main active component of PM, dramatically inhibited the growth, migration, and invasion of CRC cells, and experiments in vivo have shown that PM effectively delays CRC formation and improves the survival cycle of mice. Further analysis shows that PM inhibits the CRC progression by down-regulating the expression level of RelA, Bax, caspase 3, caspase 9, and EGFR in CRC. PM and its extract are potentially effective therapeutics for the treatment of CRC via the RelA/nuclear factor κB signaling pathway. |
| first_indexed | 2024-12-14T08:12:16Z |
| format | Article |
| id | doaj.art-653fd6abcffe46738e27abcacca57ea7 |
| institution | Directory Open Access Journal |
| issn | 1663-9812 |
| language | English |
| last_indexed | 2024-12-14T08:12:16Z |
| publishDate | 2021-11-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Pharmacology |
| spelling | doaj.art-653fd6abcffe46738e27abcacca57ea72022-12-21T23:10:02ZengFrontiers Media S.A.Frontiers in Pharmacology1663-98122021-11-011210.3389/fphar.2021.761980761980Network Pharmacology and Molecular Docking–Based Investigation: Prunus mume Against Colorectal Cancer via Silencing RelA ExpressionMinfeng Zhou0Jinxiao Li1Dan Luo2Haiming Zhang3Zhaomin Yu4Youlin Chen5Qiumeng Li6Fengxia Liang7Rui Chen8Department of Integrated Traditional Chinese and Western Medicine, Union Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan, ChinaDepartment of Integrated Traditional Chinese and Western Medicine, Union Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan, ChinaDepartment of Respiratory Medicine, Wuhan First Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan, ChinaDepartment of Oncology, Integrated Traditional Chinese and Western Medicine, The Central Hospital of Wuhan, Tongji Medical College, Huazhong University of Science and Technology, Wuhan, ChinaDepartment of Oncology, Hubei Provincial Hospital of Integrated Chinese and Western Medicine, Wuhan, ChinaSchool of Resources and Environment Science, Wuhan University, Wuhan, ChinaClinical College of Traditional Chinese Medicine, Hubei University of Chinese Medicine, Wuhan, ChinaCollege of Acupuncture & Moxibustion and Orthopaedics, Hubei University of Chinese Medicine, Wuhan, ChinaDepartment of Integrated Traditional Chinese and Western Medicine, Union Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan, ChinaColorectal cancer (CRC) is one of the most pervasive cancers in the human disease spectrum worldwide, ranked the second most common cause of cancer death by the end of 2020. Prunus mume (PM) is an essential traditional Chinese medicine for the adjuvant treatment of solid tumors, including CRC. In the current study, we utilize means of network pharmacology, molecular docking, and multilayer experimental verification to research mechanism. The five bioactive compounds and a total of eight critical differentially expressed genes are screened out using the bioinformatics approaches of Cytoscape software, String database, Gene Ontology analysis, Kyoto Encyclopedia of Genes and Genomes pathways, and molecular docking. RelA has been proven to be highly expressed in CRC. Experiments in vitro have shown that kaempferol, the main active component of PM, dramatically inhibited the growth, migration, and invasion of CRC cells, and experiments in vivo have shown that PM effectively delays CRC formation and improves the survival cycle of mice. Further analysis shows that PM inhibits the CRC progression by down-regulating the expression level of RelA, Bax, caspase 3, caspase 9, and EGFR in CRC. PM and its extract are potentially effective therapeutics for the treatment of CRC via the RelA/nuclear factor κB signaling pathway.https://www.frontiersin.org/articles/10.3389/fphar.2021.761980/fullPrunus mumecolorectal cancernetwork pharmacologymoleculardockingRelAapoptosis |
| spellingShingle | Minfeng Zhou Jinxiao Li Dan Luo Haiming Zhang Zhaomin Yu Youlin Chen Qiumeng Li Fengxia Liang Rui Chen Network Pharmacology and Molecular Docking–Based Investigation: Prunus mume Against Colorectal Cancer via Silencing RelA Expression Frontiers in Pharmacology Prunus mume colorectal cancer network pharmacology moleculardocking RelA apoptosis |
| title | Network Pharmacology and Molecular Docking–Based Investigation: Prunus mume Against Colorectal Cancer via Silencing RelA Expression |
| title_full | Network Pharmacology and Molecular Docking–Based Investigation: Prunus mume Against Colorectal Cancer via Silencing RelA Expression |
| title_fullStr | Network Pharmacology and Molecular Docking–Based Investigation: Prunus mume Against Colorectal Cancer via Silencing RelA Expression |
| title_full_unstemmed | Network Pharmacology and Molecular Docking–Based Investigation: Prunus mume Against Colorectal Cancer via Silencing RelA Expression |
| title_short | Network Pharmacology and Molecular Docking–Based Investigation: Prunus mume Against Colorectal Cancer via Silencing RelA Expression |
| title_sort | network pharmacology and molecular docking based investigation prunus mume against colorectal cancer via silencing rela expression |
| topic | Prunus mume colorectal cancer network pharmacology moleculardocking RelA apoptosis |
| url | https://www.frontiersin.org/articles/10.3389/fphar.2021.761980/full |
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