Mechanism of action of Radix Acanthopanacis Semticosi-Cistanche deserticola in treatment of Parkinson's disease:A study based on network pharmacology and molecular docking
Objective:To investigate the mechanism of action of Radix Acanthopanacis Semticosi-Cistanche deserticola in the treatment of Parkinson's disease based on network pharmacology and molecular docking.Methods:BATMAN-TCM database was used to obtain the chemical components of Radix Acanthopanacis Semticosi-Cistanche deserticola and their targets,while GeneCards,OMIM,and TTD were used to obtain the targets related to Parkinson's disease,and intersecting targets were obtained for the drugs and the disease.Cytoscape 3.10.1 and STRING were used to plot a drug-component-target-disease visualized network,and core components and key targets were identified.DAVID was used to perform the gene ontology(GO)functional enrichment analysis and the Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis of the targets,and TCM-SP,RCSB PDB,Autodock vina,and PyMOL 2.1.0 were used to perform molecular docking and visualization be-tween compounds and the molecular ligands of key targets and target gene protein receptors.Results:A total of 33 effective components were identified,as well as 876 drug targets and 9377 disease targets.A total of 598 intersecting genes were obtained for the drugs and the disease,among which GNAS,TNF,IL-6,JUN,and GOT2 were the key targets.The GO functional enrichment analysis obtained 1723 terms,mainly including the biological processes of voltage-gated sodium channel activity and postsynaptic membrane potential regulation,and the KEGG pathway in-volved 158 related pathways,such as the metabolic pathway and the pathways of neurodegeneration-multiple dis-eases.Molecular docking showed that the effective component quercetin had a relatively strong binding activity to the key target GNAS.Conclusion:Radix Acanthopanacis Semticosi-Cistanche deserticola exerts a therapeutic effect on Parkinson's disease through multiple components,pathways,and targets,which provides a reference for further studies on the mechanism of action of this drug combination in the treatment of Parkinson's disease.
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