关键词: 网络药理学, 天麻, 生物信息学, 帕金森病, 分子对接

Abstract: Objective Parkinson's disease (PD) is a complex neurodegenerative disorder,and Gastrodia elata,a plant used in traditional Chinese medicine,may hold potential therapeutic value for its treatment.This study employs network pharmacology,bioinformatics,and molecular docking techniques to systematically investigate the molecular mechanisms of Gastrodia elata in treating Parkinson's disease (PD). Methods Active components of Gastrodia elata were screened using the BATMAN database,their targets were predicted using the Swiss Target Prediction database,and PD-related targets were obtained from the GeneCards database.A “component-target-PD” network was constructed,and topological analysis was performed to screen for core targets.GO function and KEGG pathway enrichment analyses of the core targets were conducted using the DAVID database.Molecular docking validation was performed using CB-Dock2,and differential expression validation was conducted using the GEO dataset GSE20291、GSE20292和GSE20295. Results A total of 35 active components of Gastrodia elata were screened,corresponding to 569 targets.Intersection with PD-related targets yielded 130 potential targets.PPI network analysis identified 15 core targets,forming four major functional modules:energy metabolism (PRKAA1/PPARGCA),hormone signaling (ESR1/ESR2/AR/CYP19A1),neurotransmitter regulation (DRD2/SLC6A3/MAOB/ACHE),and inflammatory oxidative stress (PTGS2/NOX4/CYBB).GO and KEGG enrichment analyses revealed that Gastrodia elata acts on four major pathway networks:neurotransmitter regulation,AMPK energy metabolism,estrogen signaling,and purine metabolism-iron metabolism-oxidative stress,forming a multi-dimensional “metabolism-inflammation-hormone-neural function” regulatory axis.Molecular docking verified the good binding affinity (binding energy <0) between active components and core targets such as MAOB and DRD2.The GSE54536 dataset confirmed significant expression changes of CDC25A,ESR1,ESR2,and PTGS2 in PD patients. Conclusion Gastrodia elata intervenes in PD through a synergistic mechanism involving multiple components,multiple targets,and multiple pathways,providing a new paradigm shift from “single-target regulation” to “multi-target network synergistic regulation” for PD treatment,while also offering a methodological reference for the modernization of traditional Chinese medicine research.

Key words: Network pharmacology, Gastrodia elata, Bioinformatics, Parkinson's disease, molecular docking