NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2025, Vol. 37 ›› Issue (增刊1): 123-136.

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Mechanism of Shenzhu Decoction in the treatment of Parkinson′s disease based on network pharmacology,transcriptomics,and molecular docking 

WANG Kai-da1,ZHANG Ming-qing1,WANG Huan-huan1,JI Lin1*,YUAN Yue-song2,LIU Xiao-lin2,LIU Zong-zhou2,WANG Xing-chen1   

  1. 1The Second Affiliated Hospital of Shandong University of Traditional Chinese Medicine,Jinan 250001,China; 2Shandong University of Traditional Chinese Medicine,Jinan 250014,China
  • Online:2025-09-25 Published:2025-09-22

Abstract:

This study employed an integrated approach combining network pharmacology,transcriptomics,and molecular docking to explore the therapeutic targets of Shenzhu Decoction in a Parkinson′s disease (PD) mouse model,identify its core monomeric components,and elucidate its potential mechanism of action.Network pharmacology was utilized to identify the active compounds within Shenzhu Decoction and their corresponding targets.GO and KEGG pathway enrichment analyses were then performed to predict potential pathways and mechanisms of action for Shenzhu Decoction.Striatal tissue samples were collected from mice,and transcriptome sequencing was conducted to obtain mRNA expression profiles and screen for differentially expressed mRNAs.Overlapping targets identified from both the network pharmacology and transcriptomics analyses underwent molecular docking validation and PCR verification.Network pharmacology predicted 265 potential targets for Shenzhu Decoction.GO and KEGG enrichment analyses revealed that these targets were primarily enriched in apoptosis,inflammation,and oxidative stress-related pathways,such as the mitogen-activated protein kinase(MAPK) signaling pathway and the phosphatidylinositol 3-kinase/protein kinase B(PI3K/AKT) signaling pathway.Transcriptomic results identified 319 significantly differentially expressed mRNAs (fold change (FC) ≥ 1.5 or≤0.67,P < 0.05) between the Shenzhu Decoction treatment group and the model group.GO and KEGG enrichment analyses similarly indicated that these differentially expressed mRNAs were predominantly concentrated in the aforementioned pathways.Intersection analysis between transcriptomics and network pharmacology identified three overlapping target genes:muscarinic acetylcholine receptor M1(CHRM1),FOS,and protein kinase C delta (PRKCD).Core monomeric components identified within the formula included quercetin,wogonin,shinpterocarpin,dehydrotanshinone IIA,and fumarine.Molecular docking results demonstrated favorable binding affinities between these target proteins and the corresponding molecules.This study suggests that Shenzhu Decoction may exert its therapeutic effects in PD primarily through modulating signaling pathways such as MAPK and PI3K-AKT.Proteins including CHRM1,FOS and PRKCD are likely core therapeutic targets,while components such as quercetin and wogonin represent potential core active monomeric constituents within the formula.

Key words: Parkinson′s disease, Shenzhu Decoction, network pharmacology, transcriptomics, molecular docking

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