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通过分子对接靶向 Nsp9 复制酶蛋白探讨姜黄素在预防 COVID-19 中的潜在作用。

Addressing the potential role of curcumin in the prevention of COVID-19 by targeting the Nsp9 replicase protein through molecular docking.

机构信息

Soil Microbial Ecology and Environmental Toxicology Laboratory, Department of Zoology, University of Delhi, Delhi, 110007, India.

Department of Zoology, Hindu College, University of Delhi, Delhi, 110007, India.

出版信息

Arch Microbiol. 2021 May;203(4):1691-1696. doi: 10.1007/s00203-020-02163-9. Epub 2021 Jan 18.

Abstract

The pandemics have always been a destructive carrier to living organisms. Humans are the ultimate victims, as now we are facing the SARS CoV-2 virus caused COVID-19 since its emergence in Dec 2019, at Wuhan (China). Due to the new coronavirus' unexplored nature, we shed light on curcumin for its potential role against the disease. The Nsp9 replicase protein, which plays an essential role in virus replication, was extracted online, followed by 3D PDB model prediction with its validation. The in silico molecular docking of curcumin with the replicase enzyme gave insights into the preventive measures against the virus as curcumin showed multiple interactions with Nsp9 replicase. The current study showed the use of curcumin against the coronavirus and its possible role in developing medicine against it.

摘要

大流行病一直是对生物体具有破坏性的载体。人类是最终的受害者,因为自 2019 年 12 月在中国武汉出现 SARS CoV-2 病毒引发的 COVID-19 以来,我们一直面临着这种病毒。由于新型冠状病毒性质尚不清楚,我们研究了姜黄素在对抗这种疾病方面的潜在作用。我们在线提取了在病毒复制中起关键作用的 Nsp9 复制酶蛋白,然后对其进行了 3D PDB 模型预测及其验证。用姜黄素与复制酶的计算机分子对接揭示了针对该病毒的预防措施,因为姜黄素与 Nsp9 复制酶表现出多种相互作用。本研究表明了姜黄素在对抗冠状病毒方面的用途及其在开发针对该病毒的药物方面的可能作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64c7/7812563/b04994e2d63f/203_2020_2163_Fig1_HTML.jpg

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