Molecular mechanisms of phytochemicals from Zanthoxylum nitidum (Roxb.) DC. against hepatocellular carcinoma: insights from network pharmacology, molecular docking, and bioinformatics

Artificial Cells, Nanomedicine, and Biotechnology · Available online 24 Jul 2026 · In press · DOI 10.1080/21691401.2026.2700918

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Authors (5)

Rongjie Zhang, Ge Zhou, Jinhai Luo, Yingzi Wu, Yingjuan Huang

Abstract

Hepatocellular carcinoma (HCC) is an aggressive malignancy with limited therapies. We explored the anti-HCC mechanisms of Zanthoxylum nitidum (Roxb.) DC. via network pharmacology, bioinformatics and molecular docking. We identified its active components, targets and HCC-related key genes by differential expression analysis. Enrichment analysis showed these targets act in HCC-related pathways like alcoholic liver disease and the PPAR signalling pathway. Machine learning screened 5 characteristic genes (ESR1, CCNA2, CYP2B6, CHRM2, IL10), among which ESR1 and CCNA2 correlate with patient prognosis. These genes regulate tumour microenvironment and show epigenetic variations in methylation and copy number. Molecular docking confirmed stable binding between plant components and core targets. This study first reveals the multi-target anti-HCC mechanisms of Z. nitidum, offering evidence for its clinical use. Follow-up experiments are needed to validate our findings.

Abstract from DOAJ. Public domain (CC0 1.0).

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Publication details

Year
2026

Citation

Zhang, R., Zhou, G., Luo, J., et al. (2026). Molecular mechanisms of phytochemicals from Zanthoxylum nitidum (Roxb.) DC. against hepatocellular carcinoma: insights from network pharmacology, molecular docking, and bioinformatics. Artificial Cells, Nanomedicine, and Biotechnology. https://doi.org/10.1080/21691401.2026.2700918

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