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.
引用
收藏
页码:253 / 260
页数:8
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