Bioinformatics-Based Investigation of the Mechanisms by Which Gastrodia Elata and Dauricine Enhance Hypoxia Adaptation
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Initial data for Bioinformatics-Based Investigation of the Mechanisms by Which Gastrodia Elata and Dauricine Enhance Hypoxia Adaptation
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Active components of G.elata were screened from multiple traditional Chinese medicine databases, with dauricine obtained during this process also included in the analysis. SwissTargetPrediction was used to predict targets. Hypoxia-related targets were obtained from disease databases, and common targets were identified by taking their intersection. Core targets and key signaling pathways were identified through protein-protein interaction (PPI) networks, Gene Ontology (GO) functions, and KEGG analysis. A drug-component-target-pathway-disease network was constructed to screen core components and core topological targets. Molecular docking was employed to measure binding affinity, followed by 100 ns molecular dynamics simulations and binding free energy calculations for components with optimal binding results.
Institutions
- Nanjing Agricultural University College of Food Science and Technology