生物信息学
化学
没食子酸甲酯
抗氧化剂
多酚
没食子酸表没食子酸酯
对接(动物)
体外
药理学
蛋白酶
自动停靠
生物化学
体内
脂质过氧化
酶
生物
没食子酸
医学
生物技术
护理部
基因
作者
Ramakrishna Ungarala,Manne Munikumar,Sukesh Narayan Sinha,Dileshwar Kumar,R. Shyam Sunder,Suresh Challa
出处
期刊:Antioxidants
[Multidisciplinary Digital Publishing Institute]
日期:2022-01-31
卷期号:11 (2): 294-294
被引量:20
标识
DOI:10.3390/antiox11020294
摘要
Owing to the instability of Epigallocatechin Gallate (EGCG), it may undergo auto-oxidation and form oxidised products or dimers. In the present study, we aimed to evaluate the therapeutic effects, including antioxidation and immunomodulatory action, of the Oxidised Epigallocatechin Gallate (O-EGCG) as compared to native EGCG and the action of these compounds on main protease (Mpro) docking against SARS-CoV-2. HCT-116 (Human Colon Cancer) cell lines were used to estimate the total antioxidant capacity and lipid peroxidation levels and pro-inflammatory markers (human IL-6, IL-1β, TNF-α). Further, molecular docking analysis was performed by AutoDock and visualised in Discovery studio. Improved antioxidant capacity of O-EGCG was observed, and there was a significant decrease in the inflammatory markers (IL-1β, IL-6, and TNF-α) when O-EGCG was applied as compared to EGCG. The O-EGCG was shown to be strongly associated with the highest docking score and active site residues of IL-1, IL-6, and TNF- α, as well as the Mpro of SARS-CoV-2, according to in silico approach. The in vitro and in silico analyses indicate an improved therapeutic action of the oxidised form of EGCG. The effective inhibitory action of O-EGCG against SARS-CoV-2 suggests further exploration of the compound against COVID-19 and its efficacy. However, in vivo studies and understanding of the mechanism of action of O-EGCG may yield a better opinion on the use of O-EGCG and future human clinical trials.
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