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评价草药作为一种针对 SARS-CoV-2 主蛋白酶的潜在治疗选择的可能性。

Evaluation of medicinal herbs as a potential therapeutic option against SARS-CoV-2 targeting its main protease.

机构信息

Kusuma School of Biological Sciences, Indian Institute of Technology Delhi, New Delhi, India.

Morarji Desai National Institute of Yoga, New Delhi, India.

出版信息

Phytother Res. 2020 Dec;34(12):3411-3419. doi: 10.1002/ptr.6802. Epub 2020 Aug 4.

Abstract

The COVID-19 disease caused by the SARS-CoV-2 has emerged as a worldwide pandemic and caused huge damage to the lives and economy of more than hundred countries. As on May 10, 2020, more than 4,153,300 people stand infected from the virus due to an unprecedented rate of transmission and 282,700 have lost their lives because of the disease. In this context, medicinal plants may provide a way to treat the disease by targeting specific essential proteins of the virus. We screened about 51 medicinal plants and found that Tea (Camellia sinensis) and Haritaki (Terminalia chebula) has potential against SARS-COV-2 3CL , with an IC for Green Tea as 8.9 ± 0.5 μg/ml and Haritaki 8.8 ± 0.5 μg/ml. The in-silico studies suggested that Tea component Thearubigins binds to the cysteine 145 of protease active site and could be a pharmacoactive molecule. We predict that the inhibition in protease activity may be able to halt the SARS-CoV-2 replication cycle and therefore, we propose Green Tea, Black Tea, and Haritaki plant extracts as potential therapeutic candidates for SARS-CoV-2 infection. Further investigation on role of bioactive constituents of extracts is needed to establish the molecular basis of inhibition and towards expedited drug discovery.

摘要

由 SARS-CoV-2 引起的 COVID-19 疾病已成为全球性大流行,给全球 100 多个国家的生命和经济造成了巨大损失。截至 2020 年 5 月 10 日,由于前所未有的传播速度,已有超过 415.33 万人感染该病毒,28.27 万人因该疾病死亡。在这种情况下,药用植物可能通过针对病毒的特定必需蛋白提供治疗疾病的方法。我们筛选了约 51 种药用植物,发现茶(Camellia sinensis)和诃子(Terminalia chebula)对 SARS-COV-2 3CL 具有潜在作用,绿茶的 IC 为 8.9±0.5μg/ml,诃子为 8.8±0.5μg/ml。计算机模拟研究表明,茶成分茶黄素结合到蛋白酶活性位点的半胱氨酸 145,可能是一种有药效的分子。我们预测,蛋白酶活性的抑制可能能够阻止 SARS-CoV-2 的复制周期,因此,我们提出绿茶、红茶和诃子植物提取物是 SARS-CoV-2 感染的潜在治疗候选物。需要进一步研究提取物的生物活性成分的作用,以确定抑制的分子基础,并加速药物发现。

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