Exploring potential anti-gastric cancer mechanisms of Rhizoma Paridis through integrated computational and experimental analyses.

Authors

Yinfeng Yang, Zhen Cheng, Jianhua Yang, Peizheng Yang, Hang Gao, Biaobiao Yan, Xiangyu Wang, Xuemei Zhou, Shengxi Chen, Ziyin Wu, Haiyang Sheng, Zhiqiang Dong, Yan Li, Xinghui Hong, Hang Song, Jinghui Wang

Published in

Phytomedicine : international journal of phytotherapy and phytopharmacology. Volume 160. Pages 158588. Jul 15, 2026. Epub Jul 15, 2026.

Abstract

Gastric cancer (GC) remains a leading cause of cancer-related mortality worldwide, especially in advanced stages with limited treatment efficacy. Rhizoma Paridis (RPS), a traditional Chinese medicinal herb, has shown promising antitumor activity, yet its potential anti-GC mechanisms have not been systematically investigated.
An integrated computational and experimental framework was established to explore the anti-GC activity and potential mechanisms of RPS. First, the active compounds of RPS and their corresponding targets were identified using UPLC, LC-MS analysis and machine learning (Ml)-driven data mining. Then, the key target genes were determined by the gradient boosting algorithms and their associations with GC were investigated by the deconvolution algorithms, unsupervised clustering and dimensionality reduction methods. Further, the potential compound-target interactions and the mechanism of RPS for treating GC were supported by the molecular docking, Molecular dynamics (MD) simulations, in vivo and in vitro experiments.
A total of 118 phytochemicals were identified from RPS, from which 40 candidate bioactive compounds and six hub genes, i.e., BAX, BCL2, VEGFA, KDR, CASP3 and CTNNB1 were prioritized. Functional enrichment analyses suggested that these targets were mainly associated with apoptosis, angiogenesis and Wnt/β-catenin-related signaling pathways. Transcriptomic, prognostic, immune infiltration and single-cell analyses further supported their relevance in GC. Docking and MD simulations indicated favorable binding stability between representative compounds and the key targets. Experimental studies demonstrated that RPS inhibited GC cell proliferation and tumor growth, accompanied by apoptosis-related and angiogenesis-associated molecular changes.
RPS exhibits significant anti-GC activity and may exert its effects through the coordinated regulation of apoptosis-, angiogenesis- and Wnt/β-catenin-associated pathways. This study provides a systems-level framework integrating computational analyses with biological validation to investigate the pharmacological effects of complex herbal medicines and offers mechanistic insights into the anti-GC potential of RPS.

PMID:
42555988
Bibliographic data and abstract were imported from PubMed on 06 Aug 2026.

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