Exploration on Mechanism of Pinelliae Rhizoma-Citri Reticulatae Pericarpium Herbal Pair in the Treatment of Obstructive Sleep Apnea-Hypopnea Syndrome Based on Network Pharmacology and Molecular Docking
Abstract:Objective:To explore the mechanism of the Pinelliae Rhizoma-Citri Reticulatae Pericarpium herbal pair in the treatment of obstructive sleep apnea-hypopnea syndrome (OSAHS) using network pharmacology and molecular docking. Methods: Active components and the targets of Pinelliae Rhizoma-Citri Reticulatae Pericarpium were screened through databases such as the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and GeneCards,and common targets related to OSAHS were then determined. Venn diagrams and protein-protein interaction (PPI) networks were constructed, and Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were performed. Molecular docking results were then visualized. Results:A total of 17 active components were identified,and 135 targets were identified,of which 32 were common targets between the herb and OSAHS. GO analysis revealed 872 biological processes, 47 cellular components, and 46 molecular functions. KEGG pathway analysis highlighted involvement in the relaxin signaling pathway, hypoxiainducible factor-1 (HIF-1) signaling pathway, and endocrine resistance, and lipid metabolism with atherosclerosis. Molecular docking yielded strong binding affinity between the primary active components and core targets. Conclusion: Active components such as β -sitosterol, naringenin, and baicalin in the Pinelliae Rhizoma-Citri Reticulatae Pericarpium herbal pair may exert potential therapeutic effects on OSAHS by targeting matrix metalloproteinase 9 (MMP9), peroxisome proliferator-activated receptor γ (PPARG), and transforming growth factor β1( TGFβ1), thereby modulating the relaxin and HIF-1 signaling pathways.