Mechanism of Sini Powder on treating irritable bowel syndrome based on network pharmacology and molecular docking / 国际中医中药杂志

ABSTRACT

Objective:To explore the molecular mechanism of comprehensive treatment of irritable bowel syndrome (IBS) from the perspective of alleviating gastrointestinal symptoms and neuropsychiatric symptoms by using network pharmacology and molecular docking.Methods:To retrieve the TCMSP database to obtaine the main active ingredients and the targets of Sini Powder, and the target genes of IBS were screened out through GeneCards and TTD databases. Then use STRING database and Cytoscape software to construct protein interaction network and screen the core genes, verifying the molecular docking of the core targets-drug component based on CB-Dock online molecular docking tool. Finally, used DAVID and Metascape databases respectively to conduct GO and KEGG pathways analysis. Results:There were 112 active ingredients of Sini Powder and 204 effective targets, 2 805 IBS-related genes, and 152 targets in total, which mainly concerning IL-17 signaling pathway, VEGF signaling pathway, NF-κB signaling pathway, dopaminergic synaptic pathway, serotonin synaptic pathway and calcium signaling pathway. Conclusion:Sini Powder could treat IBS by regulating neuroendocrine pathway, immune balance, improving mild intestinal inflammation and repairing intestinal barrier through multi-component, multi-path and multi-target ways.