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彝族药金胃泰胶囊治疗胃肠疾病的网络药理学研究
引用本文:黎彩凤,张丰荣,祝娜,崔建枝,唐仕欢,李志勇.彝族药金胃泰胶囊治疗胃肠疾病的网络药理学研究[J].中国中药杂志,2021(4):865-876.
作者姓名:黎彩凤  张丰荣  祝娜  崔建枝  唐仕欢  李志勇
作者单位:江西中医药大学院士工作站;中国中医科学院中药资源中心;云南省中药新资源开发研究协同创新中心;山东中医药大学中医学院;中央民族大学药学院;山西中医药大学基础医学院;中国中医科学院中药研究所;昆明理工大学生命科学与技术学院
基金项目:中央民族大学自主科研项目-交叉学科研究专项(2020MDJC04);江西民族传统药现代科技与产业发展协同创新中心项目(JXXT2018005)。
摘    要:应用网络药理学和分子对接技术探讨彝族药金胃泰胶囊治疗急慢性胃炎、胃及十二指肠溃疡和慢性结肠炎的物质基础和作用机制.通过TCMSP,CNKI,PubMed收集金胃泰胶囊组成中药的化学成分,经SwissTargetPrediction进行成分-靶点预测;从OMIM收集急慢性胃炎、胃及十二指肠溃疡和慢性结肠炎疾病的相关基因,...

关 键 词:金胃泰胶囊  网络药理学  分子对接  急慢性胃炎  胃及十二指肠溃疡  慢性结肠炎

Network pharmacology study of Yi medicine Jinweitai Capsules in treating gastrointestinal diseases
LI Cai-feng,ZHANG Feng-rong,ZHU Na,CUI Jian-zhi,TANG Shi-huan,LI Zhi-yong.Network pharmacology study of Yi medicine Jinweitai Capsules in treating gastrointestinal diseases[J].China Journal of Chinese Materia Medica,2021(4):865-876.
Authors:LI Cai-feng  ZHANG Feng-rong  ZHU Na  CUI Jian-zhi  TANG Shi-huan  LI Zhi-yong
Institution:(Academician Workstation,Jiangxi University of Traditional Chinese Medicine,Nanchang 330004,China;National Resource Center for Chinese Materia Medica,China Academy of Chinese Medical Sciences,Beijing 100700,China;Yunnan Synergistic Innovation Center for the Exploitation and Research of New Resources of Traditional Chinese Medicine,Kunming 650051,China;College of Traditional Chinese Medicine,Shandong University of Traditional Chinese Medicine,Jinan 250300,China;School of Pharmacy,Minzu University of China,Beijing 100081,China;Basic Medical College,Shanxi University of Traditional Chinese Medicine,Taiyuan 030000,China;Institute of Chinese Materia Medica,China Academy of Chinese Medical Sciences,Beijing 100700,China;Faculty of Life Science and Technology,Kunming University of Science and Technology,Kunming 650504,China)
Abstract:The network pharmacology and molecular docking methods were used to explore the mechanism of Jinweitai Capsules in the treatment of acute and chronic gastritis, gastric and duodenal ulcers, and chronic colitis. The chemical components of herbs in Jinweitai Capsules were collected through TCMSP, CNKI and PubMed. Target prediction was performed through PubChem and SwissTargetPrediction databases;genes relating to acute and chronic gastritis, gastric and duodenal ulcers, chronic colitis were collected from OMIM database;potential targets of Jinweitai Capsules for relevant gastrointestinal diseases were obtained by Venny analysis;DAVID database was used to perform GO and KEGG enrichment analysis;protein interactions were obtained by STRING database and visua-lized by Cytoscape;AutoDockVina was used for molecular docking of AKT1, EGFR, PTPN11 and its reverse-selected chemical components. Potential mechanisms of Jinweitai Capsules in treating relevant gastrointestinal diseases were clarified according to the results of the docking. The results showed 86 potential active ingredients of Jinweitai Capsules and 268 potential targets for treatment of acute and chronic gastritis, gastric and duodenal ulcers, and chronic colitis. KEGG pathway enrichment analysis showed that 20 pathways relating to acute and chronic gastritis, gastric and duodenal ulcers, and chronic colitis mainly involved calcium signaling pathway and chemokine signaling pathway. Molecular docking showed a good binding activity between AKT1, EGFR, PTPN11 and its reverse screening chemical components. Jinweitai Capsules may exert an effect in the treatment of acute and chronic gastritis, gastric and duodenal ulcers, and chronic colitis by acting on AKT1, EGFR, PTPN11 and other targets in 15 signal pathways relating to cell inflammation and immunity, cell proliferation and apoptosis, Helicobacter pylori infection, and gastrointestinal tract.
Keywords:Jinweitai Capsules  network pharmacology  molecular docking  acute and chronic gastritis  gastric and duodenal ulcers  chronic colitis
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