实用中医内科杂志2026，Vol.40Issue(6)：29-34,后插1-后插5,11.DOI:10.13729/j.issn.1671-7813.Z25081601
基于网络药理学和分子对接探讨"大黄-白芷"药对治疗慢性难愈创面的作用机制
Discussion on Mechanisms of"Dahuang(Rhei Radix et Rhizoma)-Baizhi(Angelicae Dahuricae Radix)"for Chronic Refractory Wounds Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective To explore the possible mechanism of Dahuang(Rhei Radix et Rhizoma)-Baizhi(Angelicae Dah-uricae Radix)in the treatment of chronic refractory wounds based on the methods of network pharmacology and the verifi-cation of molecular docking.Methods The TCMSP and UniProt databases were used to obtain the active components and potential targets.Drug Bank,OMIM,TTD and Gene Cards were used to search for the relevant targets of chronic refractory wounds,and the Venny 2.1.0 online analysis tool was used to take the intersection of the drug pair with disease-related targets.Cytoscape 3.10.3 software was used to construct the"active ingredient-core target"interaction network diagram,and the top five key active ingredients were ranked according to the degree of value,and then the protein-protein interac-tion(PPI)network was constructed by using the STRING database to analyze the PPI network for the treatment of chronic difficult-to-heal wounds.The network was used in the STRING database,and enrichment analysis was performed.The top 5 target proteins were screened according to the degree value size,and their binding activities to the top 5 core compo-nents were predicted using the PubChem database,Uniport database,ChemBio 3D,PyMOL 2.5,Autodock and other soft-ware.Results A total of 426 active ingredients were obtained from the database.Among them,251 genes intersected among the targets of the active ingredients and chronic refractory wounds,and 5 core targets were obtained according to the ranked size of the degree value,which were SRC,PIK3R1,GRB2,AKT1,EGFR,etc.The molecular docking analysis showed that the active ingredients of Dahuang(Rhei Radix et Rhizoma)-Baizhi(Angelicae Dahuricae Radix)and the core targets had good binding Stability.Conclusion The main active ingredients of Dahuang(Rhei Radix et Rhizoma)-Baizhi(Angelicae Dahuricae Radix)may be involved in the regulation of cancer-related pathways,lipid metabolism,atherosclero-sis pathway,diabetic cardiomyopathy pathway and progesterone-mediated oocyte maturation pathway through the regula-tion of core targets,such as SRC,PIK3R1,GRB2,AKT1 and EGFR,and play a therapeutic role in the treatment of chron-ic refractory wounds.关键词
大黄/白芷/慢性难愈创面/网络药理/分子对接/作用机制Key words
Rheum officinale/Angelica dahurica/chronic refractory wounds/network pharmacology/molecular dock-ing/mechanism of action分类
医药卫生引用本文复制引用
张文怡,杜娟娇,许畅,韩佳梦..基于网络药理学和分子对接探讨"大黄-白芷"药对治疗慢性难愈创面的作用机制[J].实用中医内科杂志,2026,40(6):29-34,后插1-后插5,11.基金项目
国家自然科学基金项目(81360572) （81360572）
