基于网络药理学和分子对接探讨参苓白术散治疗克罗恩病的作用机制  

Exploration of the mechanism of Shenling Baizhu Powder in treating Crohn′s disease based on network pharmacology and molecular docking

作　　者：王颖[1] 许晨 王香凝 王梦琪 李晨[2] Wang Ying;Xu Chen;Wang Xiangning;Wang Mengqi;Li Chen(Nanjing University of Chinese Medicine,Nanjing Jiangsu 210033;Department of Gastroenterology,Xuzhou Affiliated Hospital of Nanjing University of Chinese Medicine,Xuzhou Jiangsu 221000)

机构地区：[1]南京中医药大学,江苏南京210033 [2]南京中医药大学徐州附院消化科,江苏徐州221000

出　　处：《山西中医药大学学报》2023年第7期800-805,810,共7页Journal of Shanxi University of Chinese Medicine

基　　金：江苏省研究生科研与实践创新计划项目(sjcx22_0891);徐州市科技项目(kc22183)。

摘　　要：目的:通过网络药理学探讨参苓白术散治疗克罗恩病的机制。方法:通过数据库获取中药化合物和疾病靶点,构建共有靶点PPI网络,用Cytoscape构建网络确定潜在核心靶点,行GO功能富集和KEGG通路分析,最后行分子对接。结果:参苓白术散治疗克罗恩病靶点182个,KEGG通路206条,分子对接提示具有较好结合性。结论:参苓白术散治疗克罗恩病主要核心成分为quercetin、luteolin、kaempferol等,主要核心靶点有AKT1、JUN、CASP3等,涉及癌症、脂质和动脉粥样硬化中的途径等信号通路。Objective:To explore the mechanism of Shenling Baizhu Powder in treating Crohn′s disease through network pharmacology.Methods:The Chinese medicine compounds and disease targets were obtained from the database,and the common target PPI network was constructed.Cytoscape was used to construct the network in order to identify the potential core targets.GO functional enrichment and KEGG pathway analysis were conducted,and molecular docking was finally performed.Results:There were 182 targets and 206 KEGG pathways in the treatment of Crohn′s disease with Shenling Baizhu Powder,and the molecular docking indicated that Shenling Baizhu Powder had good binding ability.Conclusion:In the treatment of Crohn′s disease,the main core components of Shenling Baizhu Powder are quercetin,luteolin,kaempferol,etc.,and the main core targets are AKT1,JUN,CASP3,etc.,which involve signaling pathways in cancer,lipids,and atherosclerosis.

关 键 词：参苓白术散 克罗恩病 网络药理学 分子对接 

分 类 号：R285[医药卫生—中药学]