Exploring the Mechanism of Influence of Wolfberry (Lycium barbarum L.) on Pulmonary Arterial Hypertension Based on Network Pharmacology and Molecular Docking

Purpose This study mainly made use of network pharmacology and molecular docking to analyze the therapeutic mechanism of pulmonary arterial hypertension (PAH) by the traditional medicinal food plant Lycium barbarum L. in Ningxia. Methods The related targets and active compounds in PAH and Lycium barbarum L. were analyzed through the Traditional Chinese Medicine Systematic Pharmacology Database and Analysis Platform (TCMSP), GeneCards databases, Online Mendelian Inheritance in Man (OMIM) databases,Cytoscape (3.7.1) software,the STRING database,the Database for Annotation Visualization and Integrated Discovery (DAVID) database. In addition, the main active compounds were molecularly docked with key targets. Results The results showed that 35 active ingredients of Lycium barbarum L. were obtained. The protein-protein interaction (PPI) network includes 140 potential target proteins. Gene Ontology (GO) enrichment analysis yielded 34 entries from three parts: biological processes, cell composition, and molecular function. Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis obtained 157 pathways, mainly involving Chemical carcinogenesis receptor activation, Lipid and atherosclerosis, Hepatitis B/C, Chemical carcinogenesis reactive oxygen species, as well as Signaling pathways such as HIF-1, TNF, PI3K-Akt, and MAPK. Molecular docking results showed that the affinity of the key targets to quercetin is less than -5 kcal/mol, and the affinity with betaine is less than 0. Conclusion In conclusion, it was preliminarily predicted that the active compounds of Lycium barbarum L., such as quercetin and betaine, acted on key targets such as AKT1, EGFR, MYC played an intervention role in PAH by regulating multiple signaling pathways, which provided a theoretical basis for the development and application of Lycium barbarum L. and the treatment of PAH.