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• Research Paper Volume 13, Issue 12 pp 16804-16815

  Therapeutic targets and molecular mechanism of calycosin for the treatment of cerebral ischemia/reperfusion injury

  Relevance score: 6.4770675

  Songzuo Yu, Ka Wu, Yujia Liang, Haitao Zhang, Chao Guo, Bin Yang

  Keywords: calycosin, cerebral ischemia/reperfusion injury, network pharmacology, biotargets, bioinformatics

  Published in Aging on June 27, 2021

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  This study was designed to understand the pivotal anti-cerebral ischemia/reperfusion injury (CIRI) targets and pathways of calycosin through network pharmacology and molecular docking analyses. In this study, bioinformatics tools were employed to characterize and identify the pharmacological functions and mechanisms of calycosin for CIRI management. The network pharmacology data identified potential, merged CIRI-associated targets of calycosin including tumor protein p53 (TP53), protein kinase B (AKT1), vascular endothelial growth factor A (VEGFA), interleukin 6, tumor necrosis factor (TNF), and mitogen-activated protein kinase 1 (MAPK1). Molecular docking analysis indicated the binding efficacy of calycosin with three of the targets, namely TP53, AKT1, and VEGFA. The biological processes of calycosin for the treatment of CIRI are mainly involved in the improvement of endothelial cell proliferation and growth, inflammatory development, and cellular metabolism. In addition, the anti-CIRI actions of calycosin were primarily through suppression of the toll-like receptor, PI3K-AKT, TNF, MAPK, and VEGF signaling pathways. Taken together, the current bioinformatic findings revealed pivotal targets, biological functions, and pharmacological mechanisms of calycosin for the treatment of CIRI. In conclusion, calycosin, a functional phytoestrogen, can be potentially used for the treatment of CIRI in future clinical trials.

• Research Paper Volume 12, Issue 19 pp 19468-19492

  Pharmacological targets and mechanisms of calycosin against meningitis

  Relevance score: 7.1171

  Yuan Nong, Yujia Liang, Xiaoliu Liang, Yongming Li, Bin Yang

  Keywords: calycosin, meningitis, network pharmacology, biotargets and mechanisms

  Published in Aging on October 8, 2020

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  This report aimed to identity the potential anti-meningitis targets and mechanisms functioned by calycosin through network pharmacology approach. The bioinformatics databases were used to screen and collect the candidate genes/targets of calycosin and meningitis prior to identification of vital biotargets of calycosin-anti-meningitis. Additionally, the functional processes, signaling pathways of calycosin-anti-meningitis were screened and identified before further data visualization. As a result, all candidate and mapped biotargets of calycosin and meningitis were harvested before the vital targets of epidermal growth factor receptor (EGFR), tumor necrosis factor (TNF), epidermal growth factor (EGF), ataxia telangiectasia mutated protein (ATM), estrogen receptor alpha (ESR1), caspase-8 (CASP8), nerve growth factor (NGF) of calycosin-anti-meningitis were identified. The molecular processes of calycosin-anti-meningitis were screened and identified, including reduction of inflammatory development. Furthermore, the molecular pathways of calycosin-anti-meningitis were revealed, including suppression of NF-kappa B, Toll-like receptor, TNF signaling pathways. Molecular docking findings uncovered the docking capacity of calycosin with meningitis and potential pharmacological activity of calycosin against meningitis. In conclusion, these bioinformatic data uncovered the network targets and mechanisms of calycosin-anti-meningitis. And the current findings indicated that the vital targets might be used as potent biomarkers for detecting meningitis.

  

  All genes of calycosin and meningitis were screened and identified prior to further identification of the mapping targets of calycosin-anti-meningitis.

  
  
  

  

  All candidate targets of calycosin-anti-meningitis were collected for construction of a PPI network.

  
  
  

  

  All vital targets of calycosin-anti-meningitis was screened and identified.

  
  
  

  

  An integrated network from vital targets the was plotted and revealed the intersection association of target-disease-function-pathway in calycosin-anti-meningitis.

  
  
  

  

  All top 20 biological processes and molecular pathways of calycosin-anti- meningitis from enrichment analyses were revealed and visualized.

  
  
  

  

  A flow-chart using a network pharmacology approach aimed to reveal and characterize the biological targets, functions and molecular pathways in calycosin-anti-meningitis.

  
  
  

  

  Molecular docking data indicated that the binding capacity of calycosin with meningitis was significant in the vital targets of EGFR, 8BS-5UGC (A), TNF, A7M-6OOY (B).

  
  
  

• Research Paper pp undefined-undefined

  Bioinformatics approach and experimental validation reveal the hepatoprotective effect of pachyman against acetaminophen-associated liver injury

  Relevance score: 8.132642

  Ka Wu, Jingru Qin, Meizhen Liu, Xin Yan, Chao Guo

  Keywords: pachyman, hepatoprotection, acetaminophen, molecular mechanisms, biotargets

  Published in Aging on Invalid Date

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  Pachyman, known as Poria cocos polysaccharides, refers to the bioactive compounds isolated from Poria cocos. Pachyman is thought to exert cytoprotective action. However, the detailed mechanisms of pachyman action for hepatoprotection remain unknown. In this study, we aimed to assess the therapeutic actions, molecular mechanisms, and key target proteins of pachyman in the treatment of liver injury through network pharmacology and molecular docking assays. Furthermore, these bioinformatic findings were validated by an acetaminophen (APAP)-induced liver injury in vivo. Primarily using bioinformatic analysis, we screened and characterized 12 genes that act as potential therapeutic targets of pachyman against APAP-induced liver injury, in which all core targets were obtained. By using enrichment analysis, these core target genes of pachyman were characterized to reveal the pharmacological functions and molecular mechanisms of anti-liver injury induced by APAP. A molecular docking simulation was further performed to certain anti-liver injury target proteins of pachyman, including cytochrome P450 3A4 enzyme (CYP3A4) and inducible nitric oxide synthase (NOS2). In animal experiments, pachyman exerted potent hepatoprotective activities in prenatal APAP-exposed offspring livers, characterized by activated hepatocellular CYP3A4 and NOS2 expressions. These current findings have thus indicated that pachyman exerts hepatoprotective effects and may be the promising nutraceuticals for the treatment of APAP-induced liver injury.