ArticleDiscover oncology2026
Using transcriptomics and molecular docking to uncover the pharmacological targets and its associated biological mechanisms of paeoniflorigenone in treating bladder cancer.
Article in Discover oncology, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
backgroundPaeoniflorigenone (PAG) is a bioactive compound found in the root of moutan cortex. It has demonstrated anti-cancer effects, although the specific mechanism of action remains unclear. The objective of this study was to investigate the pharmacological mechanisms of PAG in the treatment of bladder cancer using transcriptomics and molecular docking.
methodPAG-associated targets were gathered using SuperPred, SEA, SwissTargetPrediction, and PharmMapper. Bladder cancer-related targets were obtained from TCGA databases. The intersection of drug-disease targets was determined using the Venny tool. Metascape database was employed for GO and KEGG enrichment analysis of the common targets in drug-disease interaction. The STRING database and Cytoscape 3.9.0 were utilized to construct a PPI network of the overlapping targets. Molecular docking analysis was performed using AutoDockTools. Further analysis of the core targets was carried out using TCGA, HPA, Kaplan-Meier Plotter, and TIMER databases.
resultsA total of 50 potential targets for the treatment of bladder cancer by PAG were found, and among them, MMP1, MMP7, MMP9, MMP13, MMP14, JUN, TGFBR2, PRSS1, and TOP2A were determined as the core targets. KEGG and GO analysis results indicated that PAG treatment primarily involves response to oxidative stress, MAPK signaling pathway, and IL-17 signaling pathway in bladder cancer. Molecular docking results demonstrated that the binding energies between PAG and the core targets were all below - 5 kJ/mol, indicating a spontaneous binding of PAG to the core targets. These findings were further confirmed through analysis of mRNA expression levels, protein expression levels, prognostic values, and immune infiltration.
conclusionIt was initially discovered that PAG exerts its therapeutic effects on bladder cancer by targeting multiple pathways and multiple targets. This finding will enhance our comprehension of the potential mechanism by which PAG combats bladder cancer, and it will serve as a theoretical foundation for future research endeavors.
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