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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Autores principales:	Minfeng Zhou, Jinxiao Li, Dan Luo, Haiming Zhang, Zhaomin Yu, Youlin Chen, Qiumeng Li, Fengxia Liang, Rui Chen
Formato:	article
Lenguaje:	EN
Publicado:	Frontiers Media S.A. 2021
Materias:	Prunus mume colorectal cancer network pharmacology moleculardocking RelA apoptosis Therapeutics. Pharmacology RM1-950
Acceso en línea:	https://doaj.org/article/653fd6abcffe46738e27abcacca57ea7
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spelling	oai:doaj.org-article:653fd6abcffe46738e27abcacca57ea72021-11-19T07:41:54ZNetwork Pharmacology and Molecular Docking–Based Investigation: Prunus mume Against Colorectal Cancer via Silencing RelA Expression1663-981210.3389/fphar.2021.761980https://doaj.org/article/653fd6abcffe46738e27abcacca57ea72021-11-01T00:00:00Zhttps://www.frontiersin.org/articles/10.3389/fphar.2021.761980/fullhttps://doaj.org/toc/1663-9812Colorectal 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.Minfeng ZhouJinxiao LiDan LuoHaiming ZhangZhaomin YuYoulin ChenQiumeng LiFengxia LiangRui ChenFrontiers Media S.A.articlePrunus mumecolorectal cancernetwork pharmacologymoleculardockingRelAapoptosisTherapeutics. PharmacologyRM1-950ENFrontiers in Pharmacology, Vol 12 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Prunus mume colorectal cancer network pharmacology moleculardocking RelA apoptosis Therapeutics. Pharmacology RM1-950
spellingShingle	Prunus mume colorectal cancer network pharmacology moleculardocking RelA apoptosis Therapeutics. Pharmacology RM1-950 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
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.
format	article
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
title	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_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_sort	network pharmacology and molecular docking–based investigation: prunus mume against colorectal cancer via silencing rela expression
publisher	Frontiers Media S.A.
publishDate	2021
url	https://doaj.org/article/653fd6abcffe46738e27abcacca57ea7
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Network Pharmacology and Molecular Docking–Based Investigation: Prunus mume Against Colorectal Cancer via Silencing RelA Expression

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