Journal of Diabetes Research · 2021 · 12 citations · 18 references
Life SciencesBioinformaticsPharmacologyDrug DiscoveryMolecular PharmacologyProtein-protein InteractionsDrug-target Interaction NetworksMolecular DockingMolecular Interaction NetworksNetwork PharmacologyProtein-ligand DockingProtein-protein Interaction ModelingDrug - Target Network AnalysisDrug-protein Interaction NetworksDrug-target Interaction AnalysisMolecular Docking AnalysisMolecular Network ModelingNetwork-based Drug DiscoveryPharmacological Network AnalysisProtein-protein Interaction Modules
OBJECTIVE: To systematically study the mechanism of cordyceps cicadae in the treatment of diabetic nephropathy (DN) with the method of network pharmacology and molecular docking analysis, so as to provide theoretical basis for the development of new drugs for the treatment of DN. METHODS: TCMSP, Symmap, PubChem, PubMed, and CTD database were used to predict and screen the active components and therapeutic targets for DN. The network of active components and targets was drawn by Cytoscape 3.6.0, the protein-protein interaction (PPI) was analyzed by the STRING database, and the DAVID database was used for the enrichment analysis of intersection targets. Molecular docking studies were finished by Discovery Studio 3.5. RESULTS: A total of 36 active compounds, including myriocin, guanosine, and inosine, and 378 potential targets of cordyceps cicadae were obtained. PPI network analysis showed that AKT1, MAPK8, and TP53 and other targets were related to both cordyceps cicadae and DN. GO and KEGG pathway analysis showed that these targets were mostly involved in R-HSA-450341, 157.14-3-3 cell cycle, and PDGF pathways. Docking studies suggested that myriocin can fit in the binding pocket of two target proteins (AKT1 and MAPK8). CONCLUSION: Active ingredients of cordyceps cicadae such as myriocin may act on DN through different targets such as AKT1, MAPK8, and TP53 and other targets, which can help to develop innovative drugs for effective treatment of DN.
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