Exploration in the mechanism of fucosterol for the treatment of non-small cell lung cancer based on network pharmacology and molecular docking

Abstract Fucosterol, a sterol isolated from brown algae, has been demonstrated to have anti-cancer properties. However, the effects and underlying molecular mechanism of fucosterol on non-small cell lung cancer remain to be elucidated. In this study, the corresponding targets of fucosterol were obta...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Xiaoling Li, Baixin Lin, Zhiping Lin, Yucui Ma, Qu Wang, Yushi Zheng, Liao Cui, Hui Luo, Lianxiang Luo
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/4896d30a9d7f463bbd3fee00228c42fd
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:4896d30a9d7f463bbd3fee00228c42fd
record_format	dspace
spelling	oai:doaj.org-article:4896d30a9d7f463bbd3fee00228c42fd2021-12-02T13:33:51ZExploration in the mechanism of fucosterol for the treatment of non-small cell lung cancer based on network pharmacology and molecular docking10.1038/s41598-021-84380-w2045-2322https://doaj.org/article/4896d30a9d7f463bbd3fee00228c42fd2021-03-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-84380-whttps://doaj.org/toc/2045-2322Abstract Fucosterol, a sterol isolated from brown algae, has been demonstrated to have anti-cancer properties. However, the effects and underlying molecular mechanism of fucosterol on non-small cell lung cancer remain to be elucidated. In this study, the corresponding targets of fucosterol were obtained from PharmMapper, and NSCLC related targets were gathered from the GeneCards database, and the candidate targets of fucosterol-treated NSCLC were predicted. The mechanism of fucosterol against NSCLC was identified in DAVID6.8 by enrichment analysis of GO and KEGG, and protein–protein interaction data were collected from STRING database. The hub gene GRB2 was further screened out and verified by molecular docking. Moreover, the relationship of GRB2 expression and immune infiltrates were analyzed by the TIMER database. The results of network pharmacology suggest that fucosterol acts against candidate targets, such as MAPK1, EGFR, GRB2, IGF2, MAPK8, and SRC, which regulate biological processes including negative regulation of the apoptotic process, peptidyl-tyrosine phosphorylation, positive regulation of cell proliferation. The Raf/MEK/ERK signaling pathway initiated by GRB2 showed to be significant in treating NSCLC. In conclusion, our study indicates that fucosterol may suppress NSCLC progression by targeting GRB2 activated the Raf/MEK/ERK signaling pathway, which laying a theoretical foundation for further research and providing scientific support for the development of new drugs.Xiaoling LiBaixin LinZhiping LinYucui MaQu WangYushi ZhengLiao CuiHui LuoLianxiang LuoNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-20 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Xiaoling Li Baixin Lin Zhiping Lin Yucui Ma Qu Wang Yushi Zheng Liao Cui Hui Luo Lianxiang Luo Exploration in the mechanism of fucosterol for the treatment of non-small cell lung cancer based on network pharmacology and molecular docking
description	Abstract Fucosterol, a sterol isolated from brown algae, has been demonstrated to have anti-cancer properties. However, the effects and underlying molecular mechanism of fucosterol on non-small cell lung cancer remain to be elucidated. In this study, the corresponding targets of fucosterol were obtained from PharmMapper, and NSCLC related targets were gathered from the GeneCards database, and the candidate targets of fucosterol-treated NSCLC were predicted. The mechanism of fucosterol against NSCLC was identified in DAVID6.8 by enrichment analysis of GO and KEGG, and protein–protein interaction data were collected from STRING database. The hub gene GRB2 was further screened out and verified by molecular docking. Moreover, the relationship of GRB2 expression and immune infiltrates were analyzed by the TIMER database. The results of network pharmacology suggest that fucosterol acts against candidate targets, such as MAPK1, EGFR, GRB2, IGF2, MAPK8, and SRC, which regulate biological processes including negative regulation of the apoptotic process, peptidyl-tyrosine phosphorylation, positive regulation of cell proliferation. The Raf/MEK/ERK signaling pathway initiated by GRB2 showed to be significant in treating NSCLC. In conclusion, our study indicates that fucosterol may suppress NSCLC progression by targeting GRB2 activated the Raf/MEK/ERK signaling pathway, which laying a theoretical foundation for further research and providing scientific support for the development of new drugs.
format	article
author	Xiaoling Li Baixin Lin Zhiping Lin Yucui Ma Qu Wang Yushi Zheng Liao Cui Hui Luo Lianxiang Luo
author_facet	Xiaoling Li Baixin Lin Zhiping Lin Yucui Ma Qu Wang Yushi Zheng Liao Cui Hui Luo Lianxiang Luo
author_sort	Xiaoling Li
title	Exploration in the mechanism of fucosterol for the treatment of non-small cell lung cancer based on network pharmacology and molecular docking
title_short	Exploration in the mechanism of fucosterol for the treatment of non-small cell lung cancer based on network pharmacology and molecular docking
title_full	Exploration in the mechanism of fucosterol for the treatment of non-small cell lung cancer based on network pharmacology and molecular docking
title_fullStr	Exploration in the mechanism of fucosterol for the treatment of non-small cell lung cancer based on network pharmacology and molecular docking
title_full_unstemmed	Exploration in the mechanism of fucosterol for the treatment of non-small cell lung cancer based on network pharmacology and molecular docking
title_sort	exploration in the mechanism of fucosterol for the treatment of non-small cell lung cancer based on network pharmacology and molecular docking
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/4896d30a9d7f463bbd3fee00228c42fd
work_keys_str_mv	AT xiaolingli explorationinthemechanismoffucosterolforthetreatmentofnonsmallcelllungcancerbasedonnetworkpharmacologyandmoleculardocking AT baixinlin explorationinthemechanismoffucosterolforthetreatmentofnonsmallcelllungcancerbasedonnetworkpharmacologyandmoleculardocking AT zhipinglin explorationinthemechanismoffucosterolforthetreatmentofnonsmallcelllungcancerbasedonnetworkpharmacologyandmoleculardocking AT yucuima explorationinthemechanismoffucosterolforthetreatmentofnonsmallcelllungcancerbasedonnetworkpharmacologyandmoleculardocking AT quwang explorationinthemechanismoffucosterolforthetreatmentofnonsmallcelllungcancerbasedonnetworkpharmacologyandmoleculardocking AT yushizheng explorationinthemechanismoffucosterolforthetreatmentofnonsmallcelllungcancerbasedonnetworkpharmacologyandmoleculardocking AT liaocui explorationinthemechanismoffucosterolforthetreatmentofnonsmallcelllungcancerbasedonnetworkpharmacologyandmoleculardocking AT huiluo explorationinthemechanismoffucosterolforthetreatmentofnonsmallcelllungcancerbasedonnetworkpharmacologyandmoleculardocking AT lianxiangluo explorationinthemechanismoffucosterolforthetreatmentofnonsmallcelllungcancerbasedonnetworkpharmacologyandmoleculardocking
_version_	1718392791883579392

Exploration in the mechanism of fucosterol for the treatment of non-small cell lung cancer based on network pharmacology and molecular docking

Ejemplares similares