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

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...

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Bibliographic Details
Published in:Scientific reports 2021-03, Vol.11 (1), p.4901-4901, Article 4901
Main Authors: Li, Xiaoling, Lin, Baixin, Lin, Zhiping, Ma, Yucui, Wang, Qu, Zheng, Yushi, Cui, Liao, Luo, Hui, Luo, Lianxiang
Format: Article
Language:English
Subjects:
631/114
631/67
Algae
Apoptosis
Cell proliferation
Drug development
Epidermal growth factor receptors
Grb2 protein
Humanities and Social Sciences
Immunosuppressive agents
Insulin-like growth factor II
Lung cancer
multidisciplinary
Non-small cell lung carcinoma
Pharmacology
Phosphorylation
Raf protein
Science
Science (multidisciplinary)
Signal transduction
Small cell lung carcinoma
Tyrosine
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Summary: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.
ISSN:2045-2322
2045-2322
DOI:10.1038/s41598-021-84380-w