scholarly journals Computational Molecular Docking and X-ray Crystallographic Studies of Catechins in New Drug Design Strategies

Molecules ◽  
2018 ◽  
Vol 23 (8) ◽  
pp. 2020 ◽  
Author(s):  
Shogo Nakano ◽  
Shin-ichi Megro ◽  
Tadashi Hase ◽  
Takuji Suzuki ◽  
Mamoru Isemura ◽  
...  
Keyword(s):  
Green Tea ◽  
Protein Interactions ◽  
Crystallographic Analysis ◽  
New Drugs ◽  
Hydroxyl Groups ◽  
Epicatechin Gallate ◽  
Tea Catechins ◽  
Computational Docking ◽  
X Ray ◽  
Green Tea Catechins

Epidemiological and laboratory studies have shown that green tea and green tea catechins exert beneficial effects on a variety of diseases, including cancer, metabolic syndrome, infectious diseases, and neurodegenerative diseases. In most cases, (−)-epigallocatechin gallate (EGCG) has been shown to play a central role in these effects by green tea. Catechins from other plant sources have also shown health benefits. Many studies have revealed that the binding of EGCG and other catechins to proteins is involved in its action mechanism. Computational docking analysis (CMDA) and X-ray crystallographic analysis (XCA) have provided detailed information on catechin-protein interactions. Several of these studies have revealed that the galloyl moiety anchors it to the cleft of proteins through interactions with its hydroxyl groups, explaining the higher activity of galloylated catechins such as EGCG and epicatechin gallate than non-galloylated catechins. In this paper, we review the results of CMDA and XCA of EGCG and other plant catechins to understand catechin-protein interactions with the expectation of developing new drugs with health-promoting properties.

scholarly journals Beneficial Properties of Green Tea Catechins

2020 ◽  
Vol 21 (5) ◽  
pp. 1744 ◽  
Author(s):  
Claudia Musial ◽  
Alicja Kuban-Jankowska ◽  
Magdalena Gorska-Ponikowska
Keyword(s):  
Green Tea ◽  
Antioxidant Properties ◽  
Biologically Active ◽  
Hydroxyl Groups ◽  
Molecular Signaling ◽  
Epicatechin Gallate ◽  
Tea Catechins ◽  
Green Tea Catechins ◽  
Antioxidant Agents ◽  
Anti Inflammatory

Green tea (Camellia sinesis) is widely known for its anticancer and anti-inflammatory properties. Among the biologically active compounds contained in Camellia sinesis, the main antioxidant agents are catechins. Recent scientific research indicates that the number of hydroxyl groups and the presence of characteristic structural groups have a major impact on the antioxidant activity of catechins. The best source of these compounds is unfermented green tea. Depending on the type and origin of green tea leaves, their antioxidant properties may be uneven. Catechins exhibit the strong property of neutralizing reactive oxygen and nitrogen species. The group of green tea catechin derivatives includes: epicatechin, epigallocatechin, epicatechin gallate and epigallocatechin gallate. The last of these presents the most potent anti-inflammatory and anticancer potential. Notably, green tea catechins are widely described to be efficient in the prevention of lung cancer, breast cancer, esophageal cancer, stomach cancer, liver cancer and prostate cancer. The current review aims to summarize the potential anticancer effects and molecular signaling pathways of major green tea catechins. It needs to be clearly emphasized that green tea as well as green tea catechols cannot replace the standard chemotherapy. Nonetheless, their beneficial effects may support the standard anticancer approach.

scholarly journals Molecular Rescue of Dyrk1A Overexpression Alterations in Mice with Fontup® Dietary Supplement: Role of Green Tea Catechins

2020 ◽  
Vol 21 (4) ◽  
pp. 1404 ◽  
Author(s):  
Yuchen Gu ◽  
Gautier Moroy ◽  
Jean-Louis Paul ◽  
Anne-Sophie Rebillat ◽  
Mara Dierssen ◽  
...  
Keyword(s):  
Green Tea ◽  
Epigallocatechin Gallate ◽  
Nutritional Supplement ◽  
Green Tea Extract ◽  
Epicatechin Gallate ◽  
Tea Catechins ◽  
Green Tea Catechins ◽  
Tea Extract ◽  
Vitro Effect

Epigallocatechin gallate (EGCG) is an inhibitor of DYRK1A, a serine/threonine kinase considered to be a major contributor of cognitive dysfunctions in Down syndrome (DS). Two clinical trials in adult patients with DS have shown the safety and efficacy to improve cognitive phenotypes using commercial green tea extract containing EGCG (45% content). In the present study, we performed a preclinical study using FontUp®, a new nutritional supplement with a chocolate taste specifically formulated for the nutritional needs of patients with DS and enriched with a standardized amount of EGCG in young mice overexpressing Dyrk1A (TgBACDyrk1A). This preparation is differential with previous one used, because its green tea extract has been purified to up 94% EGCG of total catechins. We analyzed the in vitro effect of green tea catechins not only for EGCG, but for others residually contained in FontUp®, on DYRK1A kinase activity. Like EGCG, epicatechin gallate was a noncompetitive inhibitor against ATP, molecular docking computations confirming these results. Oral FontUp® normalized brain and plasma biomarkers deregulated in TgBACDyrk1A, without negative effect on liver and cardiac functions. We compared the bioavailability of EGCG in plasma and brain of mice and have demonstrated that EGCG had well crossed the blood-brain barrier.

scholarly journals Green tea catechin enhances cholesterol 7α-hydroxylase gene expression in HepG2 cells

2008 ◽  
Vol 99 (6) ◽  
pp. 1182-1185 ◽  
Author(s):  
Mak-Soon Lee ◽  
Ju-Yeon Park ◽  
Hedley Freake ◽  
In-Sook Kwun ◽  
Yangha Kim
Keyword(s):  
Green Tea ◽  
Promoter Activity ◽  
Human Subjects ◽  
Mrna Level ◽  
Transcriptional Level ◽  
Dependent Manner ◽  
Human Hepatoma Cells ◽  
Epicatechin Gallate ◽  
Tea Catechins ◽  
Green Tea Catechins

Green tea catechins are known to have hypocholesterolaemic effects in animals and human subjects. In the present study, we investigated the effects of green tea catechins on the mRNA level and promoter activity of hepatic cholesterol 7α-hydroxylase (CYP7A1), the rate-limiting enzyme in the conversion of cholesterol to bile acids, in human hepatoma cells. Real-time PCR assays showed that different catechins, ( − )-epicatechin gallate (ECG), ( − )-epigallocatechin-3-gallate (EGCG), ( − )-epigallocatechin (EGC) and ( − )-epicatechin (EC), up regulated the CYP7A1 mRNA level by 5·5-, 4·2-, 2·9- and 1·9-fold, respectively, compared with the control. The − 1312/+358 bp of the CYP7A1 promoter was subcloned into the pGL3 basic vector that includes luciferase as a reporter gene. ECG or EGCG significantly increased CYP7A1 promoter activity by 6·0- or 4·0-fold, respectively, compared with the control. Also, EGCG stimulated CYP7A1 at both mRNA level and promoter activity in a dose-dependent manner. These results suggest that the expression of the CYP7A1 gene may be directly regulated by green tea catechins at the transcriptional level.

scholarly journals Exploring Inhibitory Mechanisms of Green Tea Catechins as Inhibitors of a Cancer Therapeutic Target, Nuclear Factor-κB (NF-κB)

2019 ◽  
Vol 16 (04) ◽  
pp. 715-723
Author(s):  
Mohd Suhail ◽  
Asma parveen ◽  
Amjad Husain ◽  
Mohd Rehan
Keyword(s):  
Transcription Factor ◽  
Green Tea ◽  
Therapeutic Target ◽  
Epigallocatechin Gallate ◽  
Nuclear Factor Κb ◽  
Nuclear Factor ◽  
Epicatechin Gallate ◽  
Tea Catechins ◽  
Green Tea Catechins ◽  
Cancer Types

Nuclear factor kappa B (NF-κB), a transcription factor is a well-established cancer therapeutic target. NF-κB’s linkage with cancer is known through the constitutive activation of NF-κB in several cancer types. The most important role of NF-κB as a transcription factor is its ability to promote cell survival through the induction of transcription of target pro-survival genes and thus inhibition of programmed cell death (PCD) by resulting proteins in both malignant and normal cells. Current findings have unveiled that green tea catechins exert anticancer effect by inhibiting the activity of various receptors including NF-κB. The current study is designed to gain the structural insights for inhibitory mechanism of catechin derivatives against NF-κB. The major green tea catechins include (-)-epicatechin (EC), (-)-epigallocatechin (EGC), (-)-epicatechin gallate (ECG), and (-)-epigallocatechin gallate (EGCG) and are included in the current study. The study explored the binding pose, interacting residues, molecular interactions, and predicted binding energy and dissociation constant for the catechin derivatives. Our results showed that the catechin derivatives bound well in the DNA binding site with adequate binding strength scores. The study suggested that the four catechin derivatives may act as potential inhibitors of NF-κB and thus, may inhibit the progression of various cancer types.

Green tea catechins attenuate high-fat diet effects related to obesity and diabetes without effect hypothalamic expression of TLR4 pathway or serotoninergic 1B and 2C receptors

2013 ◽  
Author(s):  
Marcos Hiromu Okuda ◽  
de Santana Aline Alves ◽  
Mayara Franzoi Moreno ◽  
Ana Claudia Hachul ◽  
Nelson Inacio Neto ◽  
...  
Keyword(s):  
Green Tea ◽  
High Fat Diet ◽  
High Fat ◽  
Tea Catechins ◽  
Green Tea Catechins ◽  
Obesity And Diabetes

The Protective Effects of Green Tea Catechins in the Management of Neurodegenerative Diseases: A Review

2019 ◽  
Vol 16 (1) ◽  
pp. 57-65 ◽  
Author(s):  
Tahereh Farkhondeh ◽  
Hanieh Shaterzadeh Yazdi ◽  
Saeed Samarghandian
Keyword(s):  
Neurodegenerative Diseases ◽  
Signaling Pathways ◽  
Green Tea ◽  
Molecular Mechanisms ◽  
Main Role ◽  
Related Factor ◽  
Protective Effects ◽  
Tea Catechins ◽  
Green Tea Catechins ◽  
And Control

Background: The therapeutic strategies to manage neurodegenerative diseases remain limited and it is necessary to discover new agents for their prevention and control. Oxidative stress and inflammation play a main role in the pathogenesis of neurodegenerative diseases. The aim of this study is to review the effects of green tea catechins against the Neurodegenerative Diseases. Methods: In this study, we extensively reviewed all articles on the terms of Green tea, catechins, CNS disorders, and different diseases in PubMed, Science Direct, Scopus, and Google Scholar databases between the years 1990 and 2017. Results: The present study found that catechins, the major flavonoids in green tea, are powerful antioxidants and radical scavengers which possess the potential roles in the management of neurodegenerative diseases. Catechins modulate the cellular and molecular mechanisms through the inflammation-related NF-&amp;#954;B and the nuclear factor erythroid 2-related factor 2 (Nrf2) signaling pathways. Conclusion: The findings of the present review shows catechins could be effective against neurodegenerative diseases due to their antioxidation and anti-inflammation effects and the involved biochemical pathways including Nrf2 and NF-kB signaling pathways.<P&gt;

Neuroprotection of green tea catechins on surgical menopause-induced overactive bladder in a rat model

2012 ◽  
Vol 19 (3) ◽  
pp. 346-354 ◽  
Author(s):  
Yung-Shun Juan ◽  
Shu-Mien Chuang ◽  
Cheng-Yu Long ◽  
Chung-Hwan Chen ◽  
Robert M. Levin ◽  
...  
Keyword(s):  
Overactive Bladder ◽  
Green Tea ◽  
Rat Model ◽  
Tea Catechins ◽  
Green Tea Catechins ◽  
Surgical Menopause

scholarly journals Anti-Influenza with Green Tea Catechins: A Systematic Review and Meta-Analysis

Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 4014
Author(s):  
Anchalee Rawangkan ◽  
Kirati Kengkla ◽  
Sukrit Kanchanasurakit ◽  
Acharaporn Duangjai ◽  
Surasak Saokaew
Keyword(s):  
Systematic Review ◽  
Green Tea ◽  
Viral Infections ◽  
Influenza Infection ◽  
Meta Analysis ◽  
Influenza Virus Infection ◽  
Control Group ◽  
Tea Consumption ◽  
Tea Catechins ◽  
Green Tea Catechins

Influenza is one of the most serious respiratory viral infections worldwide. Although several studies have reported that green tea catechins (GTCs) might prevent influenza virus infection, this remains controversial. We performed a systematic review and meta-analysis of eight studies with 5,048 participants that examined the effect of GTC administration on influenza prevention. In a random-effects meta-analysis of five RCTs, 884 participants treated with GTCs showed statistically significant effects on the prevention of influenza infection compared to the control group (risk ratio (RR) 0.67, 95%CIs 0.51–0.89, P = 0.005) without evidence of heterogeneity (I2= 0%, P = 0.629). Similarly, in three cohort studies with 2,223 participants treated with GTCs, there were also statistically significant effects (RR 0.52, 95%CIs 0.35–0.77, P = 0.001) with very low evidence of heterogeneity (I2 = 3%, P = 0.358). Additionally, the overall effect in the subgroup analysis of gargling and orally ingested items (taking capsules and drinking) showed a pooled RR of 0.62 (95% CIs 0.49–0.77, P = 0.003) without heterogeneity (I2= 0%, P = 0.554). There were no obvious publication biases (Egger’s test (P = 0.138) and Begg’s test (P = 0.103)). Our analysis suggests that green tea consumption is effective in the prophylaxis of influenza infections. To confirm the findings before implementation, longitudinal clinical trials with specific doses of green tea consumption are warranted.

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