Network pharmacology and single-cell transcriptomic analysis with molecular docking to elucidate the potential compounds and targets of Polygonum cuspidatum Sieb.et Zucc. for hepatocellular carcinoma

iLIVER Pub Date : 2024-09-01 DOI:10.1016/j.iliver.2024.100115

Wenze Wu , Yuzhu Shi , Yongzi Wu , Rui Zhang , Xinyan Wu , Weidi Zhao , Zhiyuan Chen , Gang Ye

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引用次数: 0

Abstract

Background and aims

Polygonum cuspidatum Sieb.et Zucc. (P. cuspidatum) and its active components have been clinically proven to have anti-hepatocellular carcinoma effects. However, the potential targets of P. cuspidatum for these effects have not yet been revealed.

Methods

We used network pharmacology and single-cell transcriptomic analysis with molecular docking to elucidate the active components and targets of P. cuspidatum for hepatocellular carcinoma.

Results

CDK1, ESR1, HSP90A11, and MAPK1 were shown to be the key targets of P. cuspidatum for hepatocellular carcinoma. P. cuspidatum was found to be likely correlated with the improved abnormal expression of CDK1 and ESR1 and the poor prognosis of HSP90AA1 and MAPK1. CDK1 was identified as the most potential anti-hepatocellular carcinoma target of P. cuspidatum. Among the active components of P. cuspidatum, physcion diglucoside was found to have the most potential to treat hepatocellular carcinoma by targeting CDK1.

Conclusion

Our study provides novel insights into the anti-hepatocellular carcinoma pharmacological effects of P. cuspidatum, which could serve as a scientific basis for its development as a medicinal resource and the targeting of CDK1 for hepatocellular carcinoma treatment.

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利用网络药理学和单细胞转录组学分析与分子对接阐明何首乌的潜在化合物和肝癌靶点

背景和目的已在临床上证实，虎杖（Polygonum cuspidatum Sieb.et Zucc.，P. cuspidatum）及其活性成分具有抗肝细胞癌的作用。结果CDK1、ESR1、HSP90A11和MAPK1被证明是黄连抗肝癌的关键靶点。研究发现，虎皮兰可能与 CDK1 和 ESR1 的异常表达改善以及 HSP90AA1 和 MAPK1 的不良预后有关。CDK1 被确定为香附子最有潜力的抗肝细胞癌靶点。结论：我们的研究为我们了解虎皮兰抗肝细胞癌的药理作用提供了新的视角，为虎皮兰作为药用资源的开发以及靶向 CDK1 治疗肝细胞癌提供了科学依据。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

iLIVER

CiteScore

0.60

自引率

0.00%

发文量