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10.18632/aging.202622

http://scihub22266oqcxt.onion/10.18632/aging.202622
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33581688!7950231!33581688
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suck abstract from ncbi


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pmid33581688      Aging+(Albany+NY) 2021 ; 13 (4): 4811-4830
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  • Chemical composition and pharmacological mechanism of ephedra-glycyrrhiza drug pair against coronavirus disease 2019 (COVID-19) #MMPMID33581688
  • Li X; Qiu Q; Li M; Lin H; Cao S; Wang Q; Chen Z; Jiang W; Zhang W; Huang Y; Luo H; Luo L
  • Aging (Albany NY) 2021[Feb]; 13 (4): 4811-4830 PMID33581688show ga
  • Traditional Chinese medicine (TCM) had demonstrated effectiveness in the prevention and control of COVID-19. Statistics showed that Ephedra and Glycyrrhiza were frequently used in the treatment of COVID-19. We hypothesized that the Ephedra-Glycyrrhiza drug pair is a potential choice for the treatment of COVID-19. Here, 112 active compounds were identified from Ephedra-Glycyrrhiza via network pharmacology approach. Ephedra-Glycyrrhiza pair enrichment analysis demonstrated that these compounds might participate in the cAMP, PI3K-Akt, JAK-STAT and chemokine signaling pathways, which had a high correlation with respiratory, nervous, blood circulation and digestive system-related diseases. Pathway analysis between Ephedra-Glycyrrhiza and COVID-19 showed that the key targets were TNF-alpha, IL2, FOS, ALB, and PTGS2. They might control PI3K-Akt signaling pathway to exert immune regulation, organ protection and antiviral effects. Molecular docking results showed that the active compounds from the Ephedra-Glycyrrhiza pair bound well to COVID-19 related targets, including the main protease (Mpro, also called 3CLpro), the spike protein (S protein), and the angiotensin-converting enzyme 2 (ACE2). The Molecular dynamics simulation was analyzed for the stability and flexibility of the complex. In conclusion, our study elucidated the potential pharmacological mechanism of Ephedra-Glycyrrhiza in the treatment of COVID-19 through multiple targets and pathways.
  • |*COVID-19 Drug Treatment[MESH]
  • |Angiotensin-Converting Enzyme 2/metabolism[MESH]
  • |Antiviral Agents/chemistry/*pharmacology/therapeutic use[MESH]
  • |COVID-19/metabolism[MESH]
  • |Drug Combinations[MESH]
  • |Drugs, Chinese Herbal/chemistry/*pharmacology/therapeutic use[MESH]
  • |Ephedra/*chemistry[MESH]
  • |Glycyrrhiza/*chemistry[MESH]
  • |Humans[MESH]
  • |Molecular Docking Simulation[MESH]
  • |Protein Interaction Maps/drug effects[MESH]
  • |SARS-CoV-2/*drug effects/physiology[MESH]
  • |Signal Transduction/drug effects[MESH]


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