Study on the potential mechanism of JQQSG for the treatment of CAP based on network pharmacology and molecular docking technology
10.12206/j.issn.2097-2024.202312014
- VernacularTitle:基于网络药理学和分子对接技术研究金芪清疏颗粒治疗社区获得性肺炎的潜在机制
- Author:
Jintao CHEN
1
;
Ziying QIAO
;
Minghua MA
;
Ruoxi ZHANG
;
Zhenwei WANG
;
Hua NIAN
Author Information
1. 上海中医药大学附属岳阳中西医结合医院,上海 200437
- Keywords:
JQQSG;
community-acquired pneumonia;
network pharmacology;
inflammatory reaction;
oxidative stress
- From:
Journal of Pharmaceutical Practice and Service
2024;42(11):471-478
- CountryChina
- Language:Chinese
-
Abstract:
Objective To investigate the possible mechanism of action of Jinqi Qingshu granules(JQQSG)in the treatment of community-acquired pneumonia(CAP)by network pharmacology and molecular docking technology.Methods The TCMSP database and SwissTargetPrediction database were used to obtain and screen the active ingredients and targets of JQQSG,and GeneCards,OMIM,TTD,and DisGeNET databases were used to search for the predicted targets of CAP,and the two targets were mapped and then imported into STRING database to construct a PPI network to screen the key targets,and then the GO and KEGG pathway enrichment were analyzed by the DAVID database,and molecular docking was carried out by the AutoDock Tools software.Results 209 active ingredients and 1 041 targets of JQQSG were obtained after screening;312 targets were co-activated with CAP,and 64 core targets were obtained after PPI network screening.571 biological processes,68 cellular components,and 199 molecular functions were analyzed by GO enrichment,and 165 KEGG pathways were analyzed by KEGG pathway enrichment,mainly involved in protein action,apoptosis and MAPK signaling pathway.Molecular docking suggests that the core target and the core components all have good binding ability.Conclusion The mechanism of action of JQQSG in the treatment of CAP may be related to its regulation of Akt,MAPK signaling pathway,improvement of oxidative stress,and other pathways to exert anti-inflammatory and antioxidant effects,which could lay the foundation for further in-depth study of its specific mechanism of action.
