Study on the Mechanism of Panax Notoginsenosides in the Treatment of Sepsis Based on Network Pharmacology and Molecular Docking
10.19378/j.issn.1003-9783.2024.07.011
- VernacularTitle:基于网络药理学及分子对接探讨三七总皂苷治疗脓毒症的作用机制
- Author:
Ping'e HUANG
1
;
Ping YANG
;
Wei HUANG
;
Yuntao LIU
;
Jin WANG
;
Yuanping WANG
;
Ye YE
Author Information
1. 广州中医药大学,广东 广州 510006
- Keywords:
Panax notoginsenosides;
sepsis;
network pharmacology;
molecular docking;
inflammatory reaction;
apoptosis;
coagulation response
- From:
Traditional Chinese Drug Research & Clinical Pharmacology
2024;35(7):1028-1034
- CountryChina
- Language:Chinese
-
Abstract:
Objective To explore the mechanism of Panax notoginsenosides in the treatment of sepsis based on network pharmacology and molecular docking technology.Methods The action targets of total saponins of Panax notoginsenosides were obtained by searching the databases of TCMSP,Swiss Target Prediciton and PharmMapper,and the disease-related targets of sepsis were searched in the databases of Genecard,Drugbank,Disgenet and OMIM.The selected targets of total saponins of Panax notoginsenosides were intersected with the disease-related targets of sepsis,which were used as potential targets for the treatment of sepsis.The protein-protein interaction(PPI)network of potential targets was constructed by STRING database,and the key targets were screened;the potential targets were analyzed by GO function and KEGG pathway enrichment analysis,and the drug-disease-target-pathway network was constructed;the molecular docking of five monomer saponins of Panax notoginsenosides and the key targets of Panax notoginsenosides in the treatment of sepsis was studied by AutoDock Vina software.Results A total of 206 potential targets of Panax notoginsenosides in the treatment of sepsis were obtained,and key targets such as AKT1,TP53,SRC,STAT3,JUN,TNF,IL6,MAPK1,PIK3R1 and IL1B were screened.A total of 2 548 biological process(BP)items,174 molecular function(MF)items and 47 cellular component(CC)items were obtained by GO functional enrichment analysis of potential targets,and 171 signal pathways were obtained by KEGG pathway enrichment analysis.The main active components of Panax notoginsenosides R1,ginsenoside Rg1,ginsenoside Re,ginsenoside Rb1 and ginsenoside Rd have strong binding activity with key targets AKT1,TP53,STAT3,SRC and JUN.Conclusion Panax notoginsenosides may act on the main signal pathways such as PI3K-Akt and AGE-RAGE through the key targets such as AKT1,TP53,SRC,STAT3 and TNF,and then affect the physiological processes such as inflammation,apoptosis and blood coagulation in sepsis,and play a role in the treatment of sepsis.
