Network pharmacology study of Yi medicine Jinweitai Capsules in treating gastrointestinal diseases.
10.19540/j.cnki.cjcmm.20200916.401
- Author:
Cai-Feng LI
1
;
Feng-Rong ZHANG
2
;
Na ZHU
3
;
Jian-Zhi CUI
4
;
Shi-Huan TANG
5
;
Zhi-Yong LI
6
Author Information
1. 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.
2. College of Traditional Chinese Medicine,Shandong University of Traditional Chinese Medicine Ji'nan 250300,China.
3. School of Pharmacy,Minzu University of China Beijing 100081,China.
4. Basic Medical College,Shanxi University of Traditional Chinese Medicine Taiyuan 030000,China.
5. Institute of Chinese Materia Medica,China Academy of Chinese Medical Sciences Beijing 100700,China.
6. School of Pharmacy,Minzu University of China Beijing 100081,China Faculty of Life Science and Technology,Kunming University of Science and Technology Kunming 650504,China.
- Publication Type:Journal Article
- Keywords:
Jinweitai Capsules;
acute and chronic gastritis;
chronic colitis;
gastric and duodenal ulcers;
molecular docking;
network pharmacology
- MeSH:
Capsules;
Drugs, Chinese Herbal;
Gastrointestinal Diseases/drug therapy*;
Helicobacter Infections;
Helicobacter pylori;
Humans;
Medicine;
Molecular Docking Simulation
- From:
China Journal of Chinese Materia Medica
2021;46(4):865-876
- CountryChina
- Language:Chinese
-
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.
