新中医2026，Vol.58Issue(9)：185-193,9.DOI:10.13457/j.cnki.jncm.2026.09.027
基于网络药理和分子对接技术分析丁桂香穴位贴敷治疗高血压病的作用机制
Analysis of the Mechanism of Point Application with Dingguixiang in Treating Hypertension Based on Network Pharmacology and Molecular Docking Technology
摘要
Abstract
Objective:To analyze the mechanism of point application with Dingguixiang(main components:Cinnamomi Ramulus,Caryophylli Flos,and Agastachis Herba)in treating hypertension based on network pharmacology and molecular docking technology.Methods:The active ingredients and targets of point application with Dingguixiang were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database,while hypertension-related targets were obtained from the OMIM and GeneCards databases.The STRING database and Cytoscape software were used to construct a protein-protein interaction(PPI)network and a traditional Chinese medicine compound-target network.Core genes were identified through enrichment analysis to obtain relevant target pathways.Molecular docking was performed to validate the main active ingredients and core targets.Results:A total of 17 active ingredients of point application with Dingguixiang were screened,corresponding to 255 targets,with 1 358 hypertension-related targets and 83 intersecting targets between the drug and the disease.The"drug-active ingredients-targets"network indicated that quercetin,rhamnetin,and genkwanin were the main active ingredients.PPI network analysis identified eight core targets:protein kinase B(AKT1),peroxisome proliferator-activated receptor gamma(PPARG),estrogen receptor alpha(ESR1),B-cell lymphoma 2(BCL2),SRC proto-oncogene(SRC),epidermal growth factor receptor(EGFR),prostaglandin-endoperoxide synthase 2(PTGS2,i.e.,COX-2),and angiotensin-converting enzyme(ACE).GO enrichment analysis yielded 3 781 entries(BP 3 146,CC 235,MF 400),mainly involving biological processes such as blood pressure regulation,blood circulation,reactive oxygen species metabolism,membrane raft,and hormone binding.KEGG pathway enrichment analysis identified 249 signaling pathways,primarily enriched in advanced glycation end products and their receptors in diabetic complications(AGE-RAGE)signaling pathway,Rap1 signaling pathway,fluid shear stress and atherosclerosis,and hypoxia-inducible factor-1(HIF-1)signaling pathway.Molecular docking results showed binding energies ranging from-7.06 to-4.75 kcal/mol between core active ingredients and core targets.Among them,genkwanin with PPARG(-6.8 kcal/mol),quercetin with ESR1(-7.1 kcal/mol),and rhamnetin with ESR1(-7.1 kcal/mol)exhibited strong binding affinity.Conclusion:The mechanism of point application with Dingguixiang in treating hypertension may involve ingredients such as rhamnetin,quercetin,and genkwanin,which regulate targets including AKT1,PPARG,ESR1,and BCL2,affect vascular endothelial function and vascular tone balance,reduce vascular inflammatory responses,and participate in pathways such as AGE-RAGE signaling,Rap1 signaling,and fluid shear stress and atherosclerosis to lower blood pressure.关键词
高血压病/丁桂香穴位贴敷/网络药理学/分子对接/作用机制Key words
Hypertension/Point application with Dingguixiang/Network pharmacology/Molecular docking/Mechanism of action分类
医药卫生引用本文复制引用
杨格格,黄建龙..基于网络药理和分子对接技术分析丁桂香穴位贴敷治疗高血压病的作用机制[J].新中医,2026,58(9):185-193,9.基金项目
中山市医学科研项目立项项目(20231A020190) （20231A020190）
