To elucidate the mechanism of PGQYF (Pinggan Qianyang Formula) in treating essential hypertension through network pharmacology and molecular docking and molecular dynamics simulation validation. The active ingredients and corresponding targets of Pinggan Qianyang Formula were retrieved from the TCMSP, HERB and UniProt databases. The keywords “Essential Hypertension” were used to retrieve disease-related targets from the GeneCards and OMIM databases. PPI (protein-protein interaction) networks were constructed using the STRING 12.0 database and Cytoscape 3.10.0 software. Functional enrichment analyses, including GO (gene ontology) and KEGG (kyoto encyclopedia of genes and genomes) pathway assessments, were performed through the DAVID database. Finally, AutoDockVina software was used to verify the molecular docking between the core components and key targets. Molecular dynamics simulation was conducted to evaluate the dynamic stability of the combined model. The results show that Pinggan Qianyang Formula contained 57 active ingredients targeting 722 genes.There are 1 454 target genes associated with essential hypertension, with 247 common genes between the drug and the disease. Six key genes are screened: AKT1 (serine/threonine-protein kinase 1), TNF (tumor necrosis factor), TP53 (tumor protein 53), BCL2 (B-cell lymphoma 2), EGFR (epidermal growth factor receptor), and SRC (proto-oncogene tyrosine-protein kinase Src). PGQYF exerts its effect by regulating the PI3K-Akt, MAPK and AGE-RAGE signaling pathways, thereby dilating blood vessels, regulating inflammatory factors, combating oxidative stress and improving vascular endothelial function. Molecular docking results show that quercetin, kaempferol, luteolin, β-sitosterol, stigmasterol and baicalein are docked with the core targets AKT1, TNF, TP53, BCL2, EGFR and SRC, demonstrating robust binding affinities. Molecular dynamics simulations further reveal that luteolin and TNF, stigmasterol and EGFR, and baicalein and TNF exhibit significant affinity in their respective interactions. Pinggan Qianyang Formula, through active components such as quercetin, kaempferol, luteolin, β-sitosterol, stigmasterol, and baicalin, can act on core targets like AKT1, TNF, TP53, EGFR, SRC, and BCL2, regulate biological pathways such as PI3K-Akt, MAPK, and AGE-RAGE pathways, thereby dilating blood vessels, regulating inflammatory factors, combating oxidative stress, and improving vascular endothelial function. These actions collectively contribute to the effective control of essential hypertension and its associated symptoms.