Systematic analysis of the molecular mechanisms mediated by coffee in Parkinson’s disease based on network pharmacology approach

• Published in: Journal of functional foods 2021-12, Vol.87, p.104764, Article 104764
• Main Authors: Li, Fangjun, Hatano, Taku, Hattori, Nobutaka
• Format: Article
• Language: English
• Subjects: bioinformatics; Coffee; Molecular docking; Multi-target; Network pharmacology; Parkinson’s disease; pharmacology; protein-protein interactions; risk; synergism
• ISSN: 1756-4646; 2214-9414
• DOI: 10.1016/j.jff.2021.104764

[Display omitted] •Coffee may a total of 12 active compounds mediating 47 PD-related targets to exert synergism, and molecular docking verified the great activity.•Coffee exerts a synergistic effect on PD through HIF-1 signaling pathway, TNF signaling pathway, insulin resistance, serotonergic synapse, and dopaminergic synapse.•Significant targets of coffee in PD including AKT1, CASP3, MAPK1, PTGS2, STAT3, TLR4, and MMP9.•HMOX1, ABCB1, SLC6A3, and DRD4 may be the key target of molecular complexes in coffee. Many epidemiological studies have associated coffee consumption with a reduced Parkinson’s disease (PD) risk, but the molecular mechanisms remain unclear. In this study, systematic pharmacological and bioinformatics approaches were employed to explore the bioactive components and potential mechanisms mediated by coffee in PD. We identified 12 active compounds in coffee associated with 47 PD-related targets, which might exert synergism because some targets were enriched in multiple signaling pathways and biological processes. The compound–target network and protein–protein interaction network exemplified the multi-component and multi-target effect mediated by coffee in PD. Furthermore, a molecular docking assessment verified the great activity between active compounds identified in coffee and PD-related targets. These results showed that the bioactive components of coffee exerted synergistic effects against PD-associated targets through numerous pathways and provided a new perspective for scientific research exploring the multi-component and multi-target mechanisms mediated by coffee in PD.