The sources and mechanisms of bioactive ingredients in coffee

2019 ◽  
Vol 10 (6) ◽  
pp. 3113-3126 ◽  
Author(s):  
G. L. Hu ◽  
X. Wang ◽  
L. Zhang ◽  
M. H. Qiu
Keyword(s):  
Mechanism Of Action ◽  
Human Diseases ◽  
Active Ingredients ◽  
Bioactive Ingredients

The sources and mechanism of action of coffee active ingredients are detailed and their joint roles in the prevention of common human diseases are summarized.

scholarly journals Remedying the Mitochondria to Cure Human Diseases by Natural Products

2020 ◽  
Vol 2020 ◽  
pp. 1-18
Author(s):  
Jian-Kang Mu ◽  
Yan-Qin Li ◽  
Ting-Ting Shi ◽  
Li-Ping Yu ◽  
Ya-Qin Yang ◽  
...  
Keyword(s):  
Natural Products ◽  
Mitochondrial Dysfunction ◽  
Mechanism Of Action ◽  
Current Knowledge ◽  
Human Diseases ◽  
Mitochondrial Regulation ◽  
The Relationship

Mitochondria are the ‘engine’ of cells. Mitochondrial dysfunction is an important mechanism in many human diseases. Many natural products could remedy the mitochondria to alleviate mitochondria-involved diseases. In this review, we summarized the current knowledge of the relationship between the mitochondria and human diseases and the regulation of natural products to the mitochondria. We proposed that the development of mitochondrial regulators/nutrients from natural products to remedy mitochondrial dysfunction represents an attractive strategy for a mitochondria-involved disorder therapy. Moreover, investigating the mitochondrial regulation of natural products can potentiate the in-depth comprehension of the mechanism of action of natural products.

scholarly journals Mechanism of Action of Bu-Fei-Yi-Shen Formula in Treating Chronic Obstructive Pulmonary Disease Based on Network Pharmacology Analysis and Molecular Docking Validation

2020 ◽  
Vol 2020 ◽  
pp. 1-12
Author(s):  
Longchuan Wu ◽  
Yu Chen ◽  
Jiao Yi ◽  
Yi Zhuang ◽  
Lei Cui ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Mechanism Of Action ◽  
Enrichment Analysis ◽  
Network Pharmacology ◽  
Chronic Obstructive ◽  
Biological Functions ◽  
Active Ingredients ◽  
Obstructive Pulmonary Disease ◽  
The Core ◽  
Target Network

Objective. To explore the mechanism of action of Bu-Fei-Yi-Shen formula (BFYSF) in treating chronic obstructive pulmonary disease (COPD) based on network pharmacology analysis and molecular docking validation. Methods. First of all, the pharmacologically active ingredients and corresponding targets in BFYSF were mined by the Traditional Chinese Medicine Systems Pharmacology (TCMSP) database, the analysis platform, and literature review. Subsequently, the COPD-related targets (including the pathogenic targets and known therapeutic targets) were identified through the TTD, CTD, DisGeNet, and GeneCards databases. Thereafter, Cytoscape was employed to construct the candidate component-target network of BFYSF in the treatment of COPD. Moreover, the cytoHubba plug-in was utilized to calculate the topological parameters of nodes in the network; then, the core components and core targets of BFYSF in the treatment of COPD were extracted according to the degree value (greater than or equal to the median degree values for all nodes in the network) to construct the core network. Further, the Autodock vina software was adopted for molecular docking study on the core active ingredients and core targets, so as to verify the above-mentioned network pharmacology analysis results. Finally, the Omicshare database was applied in enrichment analysis of the biological functions of core targets and the involved signaling pathways. Results. In the core component-target network of BFYSF in treating COPD, there were 30 active ingredients and 37 core targets. Enrichment analysis suggested that these 37 core targets were mainly involved in the regulation of biological functions, such as response to biological and chemical stimuli, multiple cellular life processes, immunity, and metabolism. Besides, multiple pathways, including IL-17, Toll-like receptor (TLR), TNF, and HIF-1, played certain roles in the effect of BFYSF on treating COPD. Conclusion. BFYSF can treat COPD through the multicomponent, multitarget, and multipathway synergistic network, which provides basic data for intensively exploring the mechanism of action of BFYSF in treating COPD.

scholarly journals Role of Autophagy in the Maintenance of Stemness in Adult Stem Cells: A Disease-Relevant Mechanism of Action

2021 ◽  
Vol 9 ◽  
Author(s):  
Shanshan Chen ◽  
Wenqi Wang ◽  
Hor-Yue Tan ◽  
Yuanjun Lu ◽  
Zhiping Li ◽  
...  
Keyword(s):  
Stem Cells ◽  
Stem Cell ◽  
Mechanism Of Action ◽  
Neurodegenerative Disorders ◽  
Adult Stem Cells ◽  
The Body ◽  
Human Diseases ◽  
Cell Compartments ◽  
Disease Specific

Autophagy is an intracellular scavenging mechanism induced to eliminate damaged, denatured, or senescent macromolecular substances and organelles in the body. The regulation of autophagy plays essential roles in the processes of cellular homeostasis and senescence. Dysregulated autophagy is a common feature of several human diseases, including cancers and neurodegenerative disorders. The initiation and development of these disorders have been shown to be associated with the maintenance of disease-specific stem cell compartments. In this review, we summarize recent advances in our understanding of the role of autophagy in the maintenance of stemness. Specifically, we focus on the intersection between autophagy and adult stem cells in the initiation and progression of specific diseases. Accordingly, this review highlights the role of autophagy in stemness maintenance from the perspective of disease-associated mechanisms, which may be fundamental to our understanding of the pathogeneses of human diseases and the development of effective therapies.

scholarly journals Uncovering the Mechanism of the Effects of Pien-Tze-Huang on Liver Cancer Using Network Pharmacology and Molecular Docking

2020 ◽  
Vol 2020 ◽  
pp. 1-12
Author(s):  
Shanghui Liu ◽  
Run Wang ◽  
Yan Lou ◽  
Jia Liu
Keyword(s):  
Molecular Docking ◽  
Liver Cancer ◽  
Molecular Mechanism ◽  
Mechanism Of Action ◽  
Network Pharmacology ◽  
Active Ingredients ◽  
The Core ◽  
Molecular Mechanism Of Action ◽  
Pien Tze Huang ◽  
Core Genes

Pien-Tze-Huang (PTH) has a long history in the treatment of liver cancer. However, its molecular mechanism of action remains unclear. TCMSP and TCM were used to collect the active ingredients. Bioactive compounds targets were predicted by reverse pharmacophore models. The antiliver cancer targets of PTH were selected by gene comparison of liver cancer in the GEO database. Molecular docking was used to verify the binding activity of the targets and the active ingredients. The DAVID was used to analyze the gene function and signal pathway. A model was built with Cytoscape. The core genes were obtained by PPI network. We screened the 4 main medicinal ingredients of PTH to obtain 16 active ingredient, 190 potential targets, and 6 core genes. We found that active small molecules exert anticancer effects by multiple pathways. The core genes were involved in multiple biological processes. We also found that eight chemical components play a greater role in inhibiting liver cancer. PTH achieves the effect of inhibiting liver cancer through the synergistic effect of multiple components, multiple targets, and multiple pathways. This study provides a potential scientific basis for further elucidating the molecular mechanism of action of PTH against liver cancer.

scholarly journals Exploring The Mechanism of Action of Herbal Medicine (Gan-Mai-Da-Zao Decoction) For Post-Stroke Depression Based On Network Pharmacology And Molecular Docking

2021 ◽  
Author(s):  
Zhi-Cong Ding ◽  
Fang-Fang Xu ◽  
Qi-Di Sun ◽  
Bin Li ◽  
Neng-Xing Liang ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Drug Treatment ◽  
Mechanism Of Action ◽  
Network Pharmacology ◽  
Active Ingredients ◽  
Active Components ◽  
Composite Target ◽  
Post Stroke ◽  
The Core ◽  
Post Stroke Depression

Abstract Backgrounds: Post-stroke depression is the most common and serious neuropsychiatric complication occurring after cerebrovascular accidents, seriously endangering human health while also imposing a heavy burden on society. Even so, it is difficult to have drugs to contain the progression of the disease. It’s reported that Gan-Mai-Da-Zao decoction was effective to PSD, but it is unknown on its mechanism of action for PSD. In this study, we aimed to explore the possible mechanisms of action of Gan-Mai-Da-Zao decoction in the treatment of PSD using network pharmacology and molecular docking.Material and methods: We obtained the active components and their targets of all drugs from the public database TCMSP and published articles. Then, we collected the PSD-related targets from GeneCards and OMIM databases. Cytoscape 3.8.2 was applied to construct PPI and composite target disease networks. In parallel, the DAVID database was used to perform GO and KEGG enrichment analysis to obtain the biological processes involved in drug treatment diseases in vivo. Finally, molecular docking was used to verify the association between the main active ingredients and the targets.Results: The network pharmacological analysis of Gan-Mai-Da-Zao decoction for PSD identified 107 active ingredients with important biological effects, including quercetin, luteolin, kaempferol, naringenin, isorhamnetin, etc. A total of 203 potential targets for drug treatment of diseases were screened, including STAT3, JUN, TNF, TPT53, AKT1, EGFR, etc. They were found to be widely enriched in a series of signaling pathways such as TNF, HIF-1, and the Toll-Like receptor. Meanwhile, molecular docking analysis showed that the core active components were tightly bound to the core targets, further confirming their anti-PSD effects.Conclusion: This is a prospective study based on the integration and analysis of large data, using the technology of network pharmacology to explore the feasibility of Gan-Mai-Da-Zao decoction for the treatment of PSD, and successfully validated by molecular docking. It reflects the multi-component and multi-target characteristics of Chinese medicine, and more importantly, it also brings hope to the clinical treatment of PSD.

scholarly journals In silico molecular target prediction unveils mebendazole as a potent MAPK14 inhibitor

2020 ◽  
Author(s):  
Jeremy Ariey-Bonnet ◽  
Kendall Carrasco ◽  
Marion Le Grand ◽  
Laurent Hoffer ◽  
Stéphane Betzi ◽  
...  
Keyword(s):  
Brain Tumors ◽  
Mechanism Of Action ◽  
In Silico ◽  
Cancer Biology ◽  
Molecular Targets ◽  
Target Prediction ◽  
Human Diseases ◽  
Glioblastoma Cells ◽  
Approved Drugs

AbstractThe concept of polypharmacology involves the interaction of drug molecules with multiple molecular targets. It provides a unique opportunity for the repurposing of already-approved drugs to target key factors involved in human diseases. Herein, we used an in silico target prediction algorithm to investigate the mechanism of action of mebendazole, an anti-helminthic drug, currently repurposed in the treatment of brain tumors. First, we confirmed that mebendazole decreased the viability of glioblastoma cells in vitro. Our in silico approach unveiled 21 putative molecular targets for mebendazole, including 12 proteins significantly up-regulated at the gene level in glioblastoma as compared to normal brain tissue. Validation experiments were performed on three major kinases involved in cancer biology: ABL1, MAPK1/ERK2 and MAPK14/p38α. Mebendazole could inhibit the activity of these kinases in vitro in a dose-dependent manner, with a high potency against MAPK14. Its direct binding to MAPK14 was further validated in vitro and inhibition of MAPK14 kinase activity was confirmed in live glioblastoma cells. Consistent with biophysical data, molecular modeling suggested that mebendazole was able to bind to the catalytic site of MAPK14. Finally, gene silencing demonstrated that MAPK14 is involved in glioblastoma tumor spheroid growth and response to mebendazole treatment. This study thus highlighted the role of MAPK14 in the anticancer mechanism of action of mebendazole and provides further rationale for the pharmacological targeting of MAPK14 in brain tumors. It also opens new avenues for the development of novel MAPK14/p38α inhibitors to treat human diseases.Significance StatementThis study provides a framework to investigate drug polypharmacology by rapidly identifying novel molecular targets of already-approved drugs. It unveils a new mechanism involved in the anticancer activity of anti-helminthic drug, mebendazole, which is currently being repurposed for the treatment of brain tumors. By helping to decipher the mechanism(s) of action of repurposed drugs in their new indications, this approach could contribute to the development of safer and more effective therapeutic strategies in oncology and beyond.

scholarly journals A Network Pharmacology Approach to Determine Active Compounds and Action Mechanisms of Ge-Gen-Qin-Lian Decoction for Treatment of Type 2 Diabetes

2014 ◽  
Vol 2014 ◽  
pp. 1-12 ◽  
Author(s):  
Huiying Li ◽  
Linhua Zhao ◽  
Bo Zhang ◽  
Yuyu Jiang ◽  
Xu Wang ◽  
...  
Keyword(s):  
Therapeutic Strategies ◽  
Mechanisms Of Action ◽  
Network Pharmacology ◽  
Active Ingredients ◽  
Action Mechanisms ◽  
Powerful Means ◽  
Bioactive Ingredients ◽  
Herbal Formulae ◽  
Target Profile

Traditional Chinese medicine (TCM) herbal formulae can be valuable therapeutic strategies and drug discovery resources. However, the active ingredients and action mechanisms of most TCM formulae remain unclear. Therefore, the identification of potent ingredients and their actions is a major challenge in TCM research. In this study, we used a network pharmacology approach we previously developed to help determine the potential antidiabetic ingredients from the traditional Ge-Gen-Qin-Lian decoction (GGQLD) formula. We predicted the target profiles of all available GGQLD ingredients to infer the active ingredients by clustering the target profile of ingredients with FDA-approved antidiabetic drugs. We also applied network target analysis to evaluate the links between herbal ingredients and pharmacological actions to help explain the action mechanisms of GGQLD. According to the predicted results, we confirmed that a novel antidiabetic ingredient fromPuerariae Lobatae radix(Ge-Gen), 4-Hydroxymephenytoin, increased the insulin secretion in RIN-5F cells and improved insulin resistance in 3T3-L1 adipocytes. The network pharmacology strategy used here provided a powerful means for identifying bioactive ingredients and mechanisms of action for TCM herbal formulae, including Ge-Gen-Qin-Lian decoction.

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