Objective: To analyze the potential action mechanism of Shuilu Erxian Dan in the treatment of premature ejaculation based on network pharmacology.
Methods: The TCMSP database was searched for the main chemical constituents of Euryale and golden cherry, the core components of Shuilu Erxian Dan. Oral bioavailability and medicinal properties were set as the parameters for screening active components, premature ejaculation-related disease targets retrieved from the DisGeNET, GeneCards, OMIM and TTD databases, the common targets of drug pairs and diseases identified with the Wayne diagram, and a drug-active ingredient-target-disease network map constructed with the software Cytoscape. A PPI network map designed through the STRING platform, the website Metascape used for GO and KEGG analyses of the common targets, and the protein receptors and small molecular ligands of the core genes employed for molecular docking and PyMOL visualization.
Results: A total of 7 chemical constituents and 171 predictive targets, 1 918 premature ejaculation targets and 113 common targets were identified. GO analysis showed significant enrichment of BP in response to toxic substances and inorganic substances, CC in membrane raft and plasma membrane protein complex, and MF in transcription factor binding and kinase binding. KEGG analysis manifested markedly enriched TNF signaling pathway, JAK-STAT signaling pathway and Cocaine addiction. The results of molecular docking exhibited a good binding energy between the core gene and the component.
Conclusion: Network pharmacology has revealed the potential action mechanism of Shuilu Erxian Dan in the treatment of premature ejaculation, which has paved the theoretical ground for verification of the effectiveness of Shuilu Erxian Dan in the treatment of premature ejaculation via animals and cells.
Keywords: network pharmacology; Shuilu Erxian Dan; premature ejaculation; molecular docking.