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摄入咖啡对2019冠状病毒病的有益作用及可能机制:一项荟萃分析与分子对接

Beneficial effects and possible mechanism of intake coffee for COVID-19: A meta-analysis and molecular docking.

作者信息

Fan Yong-Zheng, Duan Yun-Li, Zhang An-Na, Wang Yu

机构信息

Pharmacy Department, The 991st Hospital of Joint Logistic Support Force of People's Liberation Army, Xiangyang, Hubei, China.

Teaching Department, Xiangyang No. 4 Middle School Compulsory Education Department, Xiangyang, Hubei, China.

出版信息

Medicine (Baltimore). 2025 Feb 14;104(7):e41550. doi: 10.1097/MD.0000000000041550.

Abstract

BACKGROUND

To systematically evaluate the effectiveness of regular coffee intake in the prevention or treatment of COVID-19 infection, and to explore its possible mechanism of action using computer molecular docking technology.

METHODS

We searched for relevant ClinicalTrials.gov, Cochrane Library, PubMed, Web of Science, Embase, and China Biomedicine, Wanfang, CNKI, VIP databases to summarize studies on the effectiveness of coffee in preventing or treating COVID-19. The search period lasted until August 1, 2024. The 2 researchers screened the literature and data using Rev Man 5.4 software (the Cochrane Collaboration, 2020) for data analysis and used Schrodinger 2018-1 software to explore possible mechanisms of action.

RESULTS

A total 5 studies with 39,290 participants were included. The results showed that compared with the control group that drank less or no coffee, the experimental group that drank more than 1 cup of coffee per day had significantly higher benefit rates (RD = 0.17, 95% confidence intervals [CI] = 0.08-0.27, P = .0005), including lower infection rates and improved recovery rates from COVID-19 (RD = 0.24, 95% CI = 0.13-0.35), P < .0001). Molecular docking showed that CGA and caffeine present in coffee could combine with key amino acid residues of ACE2 or 3CL proteins to form hydrogen bonds.

CONCLUSIONS

Regular consumption of coffee may have certain preventive or therapeutic effects on COVID-19, and the mechanism of action may be that CGA or/caffeine in coffee may be related to the formation of hydrogen bonds by key amino acid residues such as ARG273/HIE345 of ACE2 and CYS145 of 3CL. Owing to the limited number and quality of the included studies, the effect evaluation needs to be further confirmed using clinical randomized controlled trials. The exact mechanism of action requires further verification at the molecular level, both inside and outside cells.

摘要

背景

系统评价规律饮用咖啡在预防或治疗新型冠状病毒肺炎(COVID-19)感染中的有效性,并运用计算机分子对接技术探索其可能的作用机制。

方法

检索ClinicalTrials.gov、Cochrane图书馆、PubMed、Web of Science、Embase以及中国生物医学文献数据库、万方数据库、中国知网、维普数据库,以总结咖啡预防或治疗COVID-19有效性的研究。检索时间截至2024年8月1日。两名研究人员使用Rev Man 5.4软件(Cochrane协作网,2020年)筛选文献和数据进行数据分析,并使用Schrodinger 2018-1软件探索可能的作用机制。

结果

共纳入5项研究,39290名参与者。结果显示,与饮用咖啡较少或不饮用咖啡的对照组相比,每天饮用超过1杯咖啡的实验组获益率显著更高(风险差值[RD]=0.17,95%置信区间[CI]=0.08-0.27,P=0.0005),包括较低的感染率和COVID-19更高的康复率(RD=0.24,95%CI=0.13-0.35,P<0.0001)。分子对接显示,咖啡中的绿原酸(CGA)和咖啡因可与血管紧张素转换酶2(ACE2)或3-氯-1-苯丙氨酸蛋白酶(3CL)的关键氨基酸残基结合形成氢键。

结论

规律饮用咖啡可能对COVID-19有一定的预防或治疗作用,作用机制可能是咖啡中的CGA或/和咖啡因可能与ACE2的ARG273/HIE345以及3CL的CYS145等关键氨基酸残基形成氢键有关。由于纳入研究的数量和质量有限,疗效评估需要通过临床随机对照试验进一步证实。确切的作用机制需要在细胞内外分子水平进一步验证。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f245/11835096/9a79b6d765ef/medi-104-e41550-g001.jpg

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