基于网络药理学和生物信息学的结肠炎奇效颗粒治疗溃疡性结肠炎作用机制研究  

Mechanism of Jiechangyan Qixiao Granules in the treatment of ulcerative colitis based on network pharmacology and bioinformatics

作　　者：孙钰婧 霍志鹏[1] 王玉[1] 李瑞明[1] 秦民坚[2] 何毅[1] SUN Yu-jing;HUO Zhi-peng;WANG Yu;LI Rui-ming;QIN Min-jian;HE Yi(Tasly Academy,Tasly Holding Group Co.Ltd.,State Key Laboratory of Critical Technology of Innovative Chinese Medicine,Tianjin300410,China;School of Traditional Chinese Pharmacy,China Pharmaceutical University,Jiangsu Province,Nanjing210009,China)

机构地区：[1]天士力控股集团有限公司天士力研究院/创新中药关键技术国家级重点实验室,天津300410 [2]中国药科大学中药学院,江苏南京210009

出　　处：《中国当代医药》2021年第29期4-8,F0003,F0004,共7页China Modern Medicine

基　　金：国家“重大新药创制”科技重大专项课题(2017ZX09301005)。

摘　　要：目的运用网络药理学和生物信息学方法挖掘结肠炎奇效颗粒治疗溃疡性结肠炎(UC)的活性成分、作用靶点和相关通路,探讨该方治疗UC的作用机制。方法以全方化学成分为基础,利用中药系统药理学分析平台(TCMSP)、化学专业数据库和Swiss ADME数据库寻找并筛选其作用靶点,从DiGSeE和Gene Cards数据库获取UC相关靶标,取二者交集得“药物-疾病”交集靶标;通过STRING数据库和Cytoscape软件进行可视化分析,构建“药物-疾病-靶标”网络,基于网络节点拓扑特征筛选核心靶点;采用DAVID 6.8数据库对核心靶点进行GO功能和KEGG通路富集分析,结合相关文献分析结肠炎奇效颗粒防治UC的作用机制。结果在结肠炎奇效颗粒中共筛选出12个潜在活性成分和269个潜在作用靶点;获取疾病交集靶点64个,核心靶点32个;GO功能分析包含32个富集结果,主要涉及炎症反应、NO生物合成过程的正调控等生物学功能;KEGG通路富集得到32条通路,包括癌症途径、肿瘤坏死因子信号通路等代谢途径。结论网络药理学结果揭示了结肠炎奇效颗粒治疗UC多成分、多靶点、多层次、多途径的特点,预测了可能的活性成分、关键靶点和作用机制,且预测与药理实验之间具有较高重合度,可相互验证,为后续有效部位的筛选和药效物质基础的研究提供线索和参考。Objective To investigate the mechanism and explore the active compounds,key targets and signal pathways of Jiechangyan Qixiao Granules in the treatment of ulcerative colitis,it was analyzed by network pharmacology and bioinformatics.Methods Firstly,based on the total chemical composition of Jiechangyan Qixiao Granules,pharmacology analysis platform of traditional Chinese medicine system(TCMSP),chemistry database and Swiss ADME were combined to search and screen the potential targets related to compounds.Meanwhile,the targets related to ulcerative colitis were acquired through DiGSeE and Gene Cards,and the drug-disease targets were obtained by intersecting the results of these two databases.The drug-disease-target network was constructed through visualization analysis of STRING and Cytoscape software.Moreover,core targets were screened based on the algorithm of network topology.Then,GO function and KEGG metabolic pathway enrichment analysis of these core targets were performed by DAVID 6.8 database.Finally,the mechanism of Jiechangyan Qixiao Granules in treating ulcerative colitis was analyzed with relevant literatures.Results There were 12 potential active compounds and 269 potential interactive targets in Jiechangyan Qixiao Granules,with 32 core targets were selected from 64 drug-disease targets.A total of 32 enrichment results were obtained by GO analysis,mainly involving inflammatory response,positive regulation of nitric oxide biosynthetic process,etc.Simultaneously,32 metabolic pathways were obtained by KEGG,primarily including pathways in cancer,tumor necrosis factor signaling pathway,etc.Conclusion The characteristic of Jiechangyan Qixiao Gran ules with multi-compounds,multi-targets,multi-components and multi-pathways in the treatment of ulcerative colitis is revealed by network pharmacology.The potential active compounds,key targets and mechanism are predicted as well.Moreover,there is a high degree of coincidence between prediction and pharmacological experiments,which can verify each other.These results

关 键 词：溃疡性结肠炎 结肠炎奇效颗粒 网络药理学 靶点 作用机制 

分 类 号：R256.34[医药卫生—中医内科学]