利用生物信息学技术改善穿心莲COVID-19及其后遗症的潜力。

IF 2.3 Q3 BIOCHEMICAL RESEARCH METHODS Bioinformatics and Biology Insights Pub Date : 2023-01-01 DOI:10.1177/11779322221149622
Hien Thi Nguyen, Van Mai Do, Thanh Thuy Phan, Dung Tam Nguyen Huynh
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引用次数: 1

摘要

当前的2019冠状病毒病(COVID-19)疫情正在以惊人的速度升级,为寻找有效的治疗药物带来了挑战。在草药中重新利用植物化学物质是筛选抗COVID-19潜在草药成分的理想和经济方法。穿心莲,又称穿心莲,几个世纪以来一直被用作抗炎和抗菌的草药,最近被列为治疗呼吸系统疾病的辅助治疗的有前途的草药。本研究旨在利用网络药理学结合分子对接技术筛选川心连的生物活性成分,揭示其治疗新冠肺炎的潜在药理机制和可能途径。结果发现,萜类(穿心术内酯)和类黄酮(木犀草素、槲皮素、山奈酚和木犀草素)衍生物具有高度的组分-靶标-通路网络和对接评分的强结合能力,具有显著的抗COVID-19和后遗症潜力。此外,京都基因与基因组百科(KEGG)通路分析显示,PI3K-AKT信号通路可能是COVID-19病理生理和长期后遗症中最重要的分子通路,治疗策略可以干预。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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The Potential of Ameliorating COVID-19 and Sequelae From Andrographis paniculata via Bioinformatics.

The current coronavirus disease 2019 (COVID-19) outbreak is alarmingly escalating and raises challenges in finding efficient compounds for treatment. Repurposing phytochemicals in herbs is an ideal and economical approach for screening potential herbal components against COVID-19. Andrographis paniculata, also known as Chuan Xin Lian, has traditionally been used as an anti-inflammatory and antibacterial herb for centuries and has recently been classified as a promising herbal remedy for adjuvant therapy in treating respiratory diseases. This study aimed to screen Chuan Xin Lian's bioactive components and elicit the potential pharmacological mechanisms and plausible pathways for treating COVID-19 using network pharmacology combined with molecular docking. The results found terpenoid (andrographolide) and flavonoid (luteolin, quercetin, kaempferol, and wogonin) derivatives had remarkable potential against COVID-19 and sequelae owing to their high degrees in the component-target-pathway network and strong binding capacities in docking scores. In addition, the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis showed that the PI3K-AKT signaling pathway might be the most vital molecular pathway in the pathophysiology of COVID-19 and long-term sequelae whereby therapeutic strategies can intervene.

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来源期刊
Bioinformatics and Biology Insights
Bioinformatics and Biology Insights BIOCHEMICAL RESEARCH METHODS-
CiteScore
6.80
自引率
1.70%
发文量
36
审稿时长
8 weeks
期刊介绍: Bioinformatics and Biology Insights is an open access, peer-reviewed journal that considers articles on bioinformatics methods and their applications which must pertain to biological insights. All papers should be easily amenable to biologists and as such help bridge the gap between theories and applications.
期刊最新文献
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