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Potential mechanism underlying the effect of matrine on COVID-19 patients revealed through network pharmacological approaches and molecular docking analysis
被引:18
|作者:
Peng, Wenpan
[1
]
Xu, Yong
[1
]
Han, Di
[1
]
Feng, Fanchao
[1
,2
]
Wang, Zhichao
[1
]
Gu, Cheng
[1
]
Zhou, Xianmei
[1
,2
]
Wu, Qi
[3
]
机构:
[1] Nanjing Univ Chinese Med, Affiliated Hosp, Nanjing 210029, Peoples R China
[2] Jiangsu Prov Hosp Chinese Med, Dept Resp Med, Nanjing 210029, Peoples R China
[3] Xuzhou Med Univ, Dept Physiol, Xuzhou 221009, Jiangsu, Peoples R China
基金:
中国国家自然科学基金;
关键词:
Matrine;
COVID-19;
network pharmacology;
molecular docking;
functioning mechanism;
CORONAVIRUS;
PNEUMONIA;
INHIBIT;
D O I:
10.1080/13813455.2020.1817944
中图分类号:
Q5 [生物化学];
Q7 [分子生物学];
学科分类号:
071010 ;
081704 ;
摘要:
Background The clinical efficacy of matrine in treating coronavirus disease (COVID-19) has been confirmed; however, its underlying mechanism of action remains unknown. Methods TCMSP, SwissTargetPrediction, SEA, GeneCards, CTD, and TTD were used to identify potential targets for matrine in SARS-CoV-2. Cytoscape software was used to determine the target-pathway network for topographical analysis. The online STRING analysis platform and Cytoscape were together used to generate a PPI network and for GO and KEGG pathway enrichment analysis. Finally, molecular docking simulations were performed to study matrine-Mpro, matrine-ACE2, and matrine-RdRp interactions. Results Ten common matrine targets were obtained, particularly including TNF-alpha, IL-6, and CASP3. GO and KEGG pathway enrichment analysis revealed five significantly enriched signalling pathways involved in cell proliferation, apoptosis, programmed cell death, and immune responses. Conclusions During COVID-19 treatment, matrine regulates viral replication, host cell apoptosis, and inflammation by targeting the TNF-alpha, IL-6, and CASP3 in the TNF signalling pathway.
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页码:253 / 260
页数:8
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