中国中医药图书情报杂志2025，Vol.49Issue(4)：69-75,7.DOI:10.3969/j.issn.2095-5707.202402026
基于网络药理学及分子对接技术探究桂枝-桑枝治疗肩周炎作用机制
Exploration on the Mechanism of Cinnamomi Ramulus-Mori Ramulus in the Treatment of Periarthritis of Shoulder Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective To explore the mechanism of Cinnamomi Ramulus-Mori Ramulus in treating periarthritis of the shoulder(PAS)using network pharmacology and molecular docking techniques.Methods TCMSP platform was used to search and screen the active components and relevant action targets of Cinnamomi Ramulus-Mori Ramulus.At the same time the disease targets of PAS were searched in the databases of GeneCards,OMIM,TTD and DrugBank,Venny 2.1 was used to find intersection target genes;Cytoscape 3.9.1 software was used to screen core target sand conduct visialization analysis;the core targets were then input to Metascape for GO function analysis and KEGG pathway analysis;AutoDock Vina 1.2.3 software was used to perform molecular docking between the core targets and the main active components,and PyMOL 2.5 software was used to visualize the results.Results A total of 8 active components were obtained from Cinnamomi Ramulus-Mori Ramulus,including kaempferol,mulcumin and β-sitosterol,and 14 potential therapeutic targets were involved,including PTGS2,TNF,PTGS1,etc.GO functional enrichment analysis was mainly involved in biological processes such as inflammatory response,circulatory system processes,and protein transport regulation.KEGG pathway enrichment analysis obtained 40 signal pathways,involving toxoplasmosis,leishmaniasis,osteoclast differentiation,tuberculosis,cancer pathway,IL-17,lipid and atherosclerosis and other signaling pathways.The molecular docking results showed that the main active components of kaempferol,quercetin,β-sitosterol have strong binding activity with the core targets PTGS2,TNF,PTGS1,ALOX5 and STAT1.Conclusion Cinnamomi Ramulus-Mori Ramulus for the treatment of PAS may exert anti-inflammatory,analgesic and antioxidant effects by targeting the core targets of PTGS2,TNF,PTGS1,ALOX5 and STAT1 with active components such as kaempferol,quercetin and β-sitosterol,which inhibit the enzymatic activity of inflammatory targets,regulate the mediation of inflammatory factors,promote cell repair and regeneration,and exert anti-inflammatory,analgesic and antioxidant effects.关键词
肩周炎/桂枝-桑枝/中药/网络药理学/作用机制/分子对接Key words
periarthritis of shoulder/Cinnamomi Ramulus-Mori Ramulus/Chinese materia medica/network pharmacology/mechanism/molecular docking分类
医药卫生引用本文复制引用
吉富涛,尹本敬,顾海潮,冯新越,于信信,闫露露,黄鸿文,谢元洋,徐天利,范旭博..基于网络药理学及分子对接技术探究桂枝-桑枝治疗肩周炎作用机制[J].中国中医药图书情报杂志,2025,49(4):69-75,7.基金项目
云南省科技厅中医联合专项(202101AZ070001-067) （202101AZ070001-067）
云南省第六批中医药师带徒项目(2025年) （2025年）
