Systemic pharmacology and bioinformatics: Exploring the modern biological mechanisms of rhubarb in the treatment of papillary thyroid carcinoma

Zihan Wang, Weichen Si, Xingyu Chen, Chen Huang
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Abstract

Traditional Chinese medicine (TCM) has the potential to contribute to the treatment of tumor patients. The integration of TCM with fields such as bioinformatics is crucial to gaining insights into the active compounds, target genes, and therapeutic mechanisms of TCM. In this study, our objective was to investigate the active compounds, target genes, and therapeutic mechanisms of rhubarb in the treatment of papillary thyroid carcinoma (PTC) using network pharmacology and bioinformatics approaches. By integrating multiple omics data sources and analysis methods, we identified 37 highly confident rhubarb target genes for the treatment of PTC. Subsequently, six genes (TP53, JUN, ESR1, CDKN1A, TNF, and MYC) were identified as core targets in the protein-protein interaction (PPI) network. The herb-component-target network suggested that β-sitosterol played a key role in the antitumor effect of rhubarb, while docking analysis revealed that TP53, JUN, and ESR1 were core target genes binding with β-sitosterol. Additionally, functional annotation implicated that Hepatitis B and P53 signaling were key pathways in the rhubarb therapy for PTC. This study provides insights into the pharmacology of rhubarb and facilitates research on its potential in the treatment of PTC.

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系统药理学和生物信息学:探索大黄治疗甲状腺乳头状癌的现代生物学机制
传统中医药(TCM)具有治疗肿瘤患者的潜力。中药与生物信息学等领域的结合对于深入了解中药的活性化合物、靶基因和治疗机制至关重要。在本研究中,我们的目标是利用网络药理学和生物信息学方法研究大黄治疗甲状腺乳头状癌(PTC)的活性化合物、靶基因和治疗机制。通过整合多种omics数据源和分析方法,我们确定了37个治疗PTC的高可信度大黄靶基因。随后,6个基因(TP53、JUN、ESR1、CDKN1A、TNF和MYC)被确定为蛋白-蛋白相互作用(PPI)网络中的核心靶点。草药成分-靶标网络表明,β-谷甾醇在大黄的抗肿瘤作用中起着关键作用,而对接分析表明,TP53、JUN和ESR1是与β-谷甾醇结合的核心靶基因。此外,功能注释表明,乙型肝炎和 P53 信号转导是大黄治疗 PTC 的关键通路。这项研究提供了对大黄药理学的深入了解,有助于研究大黄治疗 PTC 的潜力。
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