
科学技术与工程

中国技术经济学会
Potential Mechanism of Qinggantongluoyin in Treating Hypertension Based on Network Pharmacology and Molecular Docking
Xiao-tong LÜ , Lin-ping ZHU , Mei ZHAO , Dong WANG , Yu-hong LI , Zong-pei XU
Science Technology and Engineering ›› 2026, Vol. 26 ›› Issue (16) : 6782 -6792.
To explore the mechanism of Qinggantongluoyin (QGTLY) in the treatment of hypertension through network pharmacology and molecular docking validation. Active compounds and their targets were identified from the TCMSP and TCM-ID databases. Gene standardization was performed via UniProt. Hypertension-related targets were retrieved from the GeneCards and OMIM databases, followed by intersection analysis with drug targets. A protein-protein interaction (PPI) network was constructed using the STRING database. Enrichment analyses, including gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG), were performed using the database for annotation, visualization and integrated discovery (DAVID) database and the Weishengxin platform. A hypertension-pathway-QGTLY-active ingredients-potential targets network was visualized with Cytoscape. Molecular docking validation was conducted using PyMOL and AutoDock Tools. The results show 247 active components, such as quercetin, kaempferol, beta-sitosterol, and luteolin, which interact with 344 targets including PTGS2, PPARG, IL1B, AKT1, and MMP9. Enrichment analysis highlights relevant pathways, including the AGE-RAGE signaling pathway, fluid shear stress and atherosclerosis, and the HIF-1 signaling pathway. Molecular docking confirms strong binding affinities between quercetin, kaempferol, beta-sitosterol, and luteolin and the core targets PTGS2, PPARG, IL1B, AKT1, and MMP9. In conclusion, Qinggantongluoyin acts through active compounds such as quercetin, kaempferol, and beta-sitosterol on core targets including MMP9, PPARG, and IL1B. It regulates biological pathway related to fluid shear stress, atherosclerosis, and AGE-RAGE. The mechanism involves the enhancement of vascular smooth muscle permeability, regulation of vasoactive substances, control of inflammatory responses, and reduction of oxidative stress in the treatment of hypertension.
Qinggantongluoyin / hypertension / network pharmacology / molecular docking
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