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Investigation of Scutellaria Barbata's immunological mechanism against thyroid cancer using network pharmacology and
Gen Ouyang1, Yuangui Zhu2, Zhehao Ouyang3
1Jiangxi Province Hospital of Integrated Chinese and Western Medicine, No. 90, Bayi Avenue, Donghu District, Nanchang, 330002, Jiangxi, China. oy19121233@163.com.
Abstract:
Thyroid cancer (TC) is the most common endocrine malignancy, with a rapidly increasing global incidence. Scutellariae Barbatae Herba (SBH) exhibits significant antitumor activity; however, its mechanism against TC remains unclear. This study aims to explore the immunotherapeutic mechanism of SBH in treating TC through network pharmacology, bioinformatics analysis, and experimental validation. In the TCMSP database, the active components and potential targets of SBH were screened to construct a drug-component-target-disease network. TC targets were then filtered, and common targets were selected to build a protein-protein interaction network. GO and KEGG enrichment analyses were performed. The expression, prognosis, and immunotherapeutic roles of core genes were validated using TCGA databases. Molecular docking demonstrated the binding interactions between core components and targets. Finally, in vitro experiments were conducted to validate the results of the network pharmacology analysis. 14 active components and 29 potential targets of SBH in treating TC were identified from the TCMSP database. PPI network analysis highlighted SPP1 as a key target. GO enrichment analysis involved 722 biological processes, 24 cellular components, and 73 molecular functions. KEGG enrichment analysis suggested that the anticancer effect of SBH might be mediated through signaling pathways such as AGE-RAGE and PI3K-Akt. TCGA data indicated that SPP1 is highly expressed in TC and is associated with diagnosis, pathological stage, N stage, and gender of TC patients. Additionally, SPP1 expression correlated with the infiltration of 24 types of immune cells, with the highest correlation observed with macrophages. Molecular docking demonstrated that SPP1 has high binding stability with quercetin, Rhamnazin, and Salvigenin, with binding energies of -8.117, -7.494, and - 7.202 kJ∙mol - 1, respectively. Experimental validation showed that quercetin inhibited the growth of TC cells in a dose-dependent manner. Protein results indicated that quercetin downregulated SPP1 mRNA and protein expression. This study combines database predictions with experimental validation to reveal the potential mechanisms of SBH against TC, providing effective strategies for the immunotherapy of TC.
Insights
Scutellariae Barbatae Herba (SBH) shows potential for thyroid cancer (TC) immunotherapy by targeting SPP1. Quercetin, a key component, inhibits TC cell growth and downregulates SPP1, offering new treatment strategies.
Area of Science:
- Endocrinology and Oncology
- Herbal Medicine and Bioinformatics
Background:
- Thyroid cancer (TC) incidence is rising globally, necessitating novel therapeutic approaches.
- Scutellariae Barbatae Herba (SBH) demonstrates antitumor properties, but its mechanism in TC is not fully understood.
Purpose of the Study:
- To elucidate the immunotherapeutic mechanism of SBH against TC using integrated network pharmacology, bioinformatics, and experimental validation.
- To identify key active components, molecular targets, and signaling pathways involved in SBH's anti-TC effects.
Main Methods:
- Screening of SBH active components and targets using the TCMSP database.
- Construction of drug-component-target-disease and protein-protein interaction (PPI) networks.
- Gene Ontology (GO) and KEGG pathway enrichment analyses.
- Validation of core gene expression and immunotherapeutic roles using TCGA data.
- Molecular docking simulations and in vitro experiments with TC cell lines.
Main Results:
- Identified 14 active components and 29 potential targets of SBH for TC treatment, with SPP1 highlighted as a key target.
- KEGG analysis suggested SBH's anticancer effects involve AGE-RAGE and PI3K-Akt signaling pathways.
- TCGA data revealed high SPP1 expression in TC, correlating with clinical features and immune cell infiltration (especially macrophages).
- Molecular docking confirmed stable binding of quercetin, Rhamnazin, and Salvigenin to SPP1.
- In vitro experiments showed quercetin inhibits TC cell growth and downregulates SPP1 expression.
Conclusions:
- SBH exerts immunotherapeutic effects against TC primarily through targeting SPP1 and modulating related signaling pathways.
- Quercetin is a key active component of SBH that inhibits TC progression by downregulating SPP1.
- This study provides a comprehensive understanding of SBH's mechanism against TC, supporting its potential as an immunotherapeutic strategy.
