Network Pharmacology and Molecular Docking Analysis on Mechanisms of Isobavachalcone in Parkinson’s Disease

Feiling Xie

doi:10.54691/fsd.v2i6.952

Authors

Feiling Xie

DOI:

https://doi.org/10.54691/fsd.v2i6.952

Keywords:

Isobavachalcone, Parkinson’s Disease, Network Pharmacology

Abstract

Objective: To use bioinformatics methods to identify the target genes of isobavachalcone (ISO) in Parkinson’s disease (PD), and to construct pharmacology network to characterize the underlying mechanism of ISO in PD. Methods: Potential targets of ISO, as well as related genes of PD were obtained from the public databases, the potential targets and signaling pathways were determined by protein-protein interaction (PPI), gene ontology (GO) and KEGG pathway enrichment analyses. And the network among ISO, PD and their co-targets was constructed using Cytoscape 3.3.0. AutoDock Tools and PyMOL software were applied for molecular docking. Results: 34 potential targets of ISO related to PD were predicted using the public databases. PPI network showed that AKT1, PTGS2, EGFR, HSP90AA1, APP, SNCA, ACHE, BACE1, AKR1B1, MAOB, ABCB1 and PTGES were considered to as hub genes. Through enrichment analysis, ISO was found to exert its potential therapeutic effects on PD through several pathways. Molecular docking showed that ISO might bind to the key PD-associated amyloid protein, α-synuclein. Conclusion: Altogether, this study preliminarily investigated the pharmacological effects of ISO on PD and its potential underlying therapeutic mechanisms mediated by multiple targets and pathways.

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