Exploring the potential mechanisms of Jinglinzi powder in treating hepatocellular carcinoma based on LC-MS, network pharmacology, molecular docking, and experimental validation

  • J Pharm Biomed Anal. 2025 Sep 15:263:116899. doi: 10.1016/j.jpba.2025.116899.
Gaofeng Liu  1 ,  Shanshan Kuang  1 ,  Weixing Zhong  1 ,  Anming Yang  2 ,  Xiaoli Huang  1 ,  Yin Xie  1 ,  Xin Zhang  3 ,  Yikai Li  1 ,  Qingguang Qin  4 ,  Guangjie Liu  5
Affiliations
  • 1. School of Traditional Chinese Medicine, Southern Medical University, Guangzhou 510515, China.
  • 2. Department of Neurosurgery, Nanfang Hospital, Southern Medical University, Guangzhou 510510, China.
  • 3. Laboratory Medicine Center, Nanfang Hospital, Southern Medical University, Guangzhou 510510, China.
  • 4. Department of acupuncture and moxibustion, Hainan Provincial People's Hospital, Haikou 570311, China. Electronic address: [email protected].
  • 5. Department of Neurosurgery, Nanfang Hospital, Southern Medical University, Guangzhou 510510, China. Electronic address: [email protected].
PMID: 40286672 DOI: 10.1016/j.jpba.2025.116899
Abstract

This study systematically predicts the active components, targets, and mechanisms of JLZP against HCC by integrating LC-MS, network pharmacology, and molecular docking, with experimental validation of its pro-pyroptotic effects. Through HERB and NPASS databases, 81 bioactive components of JLZP and 78 overlapping HCC-related targets were identified. Protein-protein interaction network and KEGG enrichment analyses revealed that JLZP likely induces cell death via cancer-related pathways. Molecular docking (CB-Dock2) demonstrated high binding affinity between JLZP core components (e.g., protopine) and pyroptosis-associated targets (NLRP3, GSDMD). In vitro experiments confirmed that JLZP significantly suppressed MHCC-97L cell proliferation and migration, while upregulating Pyroptosis markers (IL-1β, IL-18) at both mRNA and protein levels, with these effects reversed by a Pyroptosis inhibitor. This study is the first to elucidate JLZP's anti-HCC mechanism through Pyroptosis activation, identifying its pharmacodynamic material basis and multi-target action. The "component-target-pathway-experiment" multidimensional strategy provides methodological insights for deciphering traditional Chinese medicine formulas, offering a theoretical foundation for developing JLZP-based Anticancer therapies.

Keywords
Hepatocellular Carcinoma; Jinglinzi Powder; MHCC-97L; Molecular Docking; Network Pharmacology; Pyroptosis.
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