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锌与 SARS-CoV-2:锌与 RNA 依赖性 RNA 聚合酶和 3C 样蛋白酶相互作用的分子建模研究。

Zinc and SARS‑CoV‑2: A molecular modeling study of Zn interactions with RNA‑dependent RNA‑polymerase and 3C‑like proteinase enzymes.

机构信息

Department of Biological Sciences, University of Calgary, Calgary, Alberta T2N4V8, Canada.

出版信息

Int J Mol Med. 2021 Jan;47(1):326-334. doi: 10.3892/ijmm.2020.4790. Epub 2020 Nov 18.

DOI:10.3892/ijmm.2020.4790
PMID:33236142
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7723401/
Abstract

RNA‑dependent RNA‑polymerase (RdRp) and 3C‑like proteinase (3CLpro) are two main enzymes that play a key role in the replication of SARS‑CoV‑2. Zinc (Zn) has strong immunogenic properties and is known to bind to a number of proteins, modulating their activities. Zn also has a history of use in viral infection control. Thus, the present study models potential Zn binding to RdRp and the 3CLpro. Through molecular modeling, the Zn binding sites in the aforementioned two important enzymes of viral replication were found to be conserved between severe acute respiratory syndrome (SARS)‑coronavirus (CoV) and SARS‑CoV‑2. The location of these sites may influence the enzymatic activity of 3CLpro and RdRp in coronavirus disease 2019 (COVID‑19). Since Zn has established immune health benefits, is readily available, non‑expensive and a safe food supplement, with the comparisons presented here between SARS‑CoV and COVID‑19, the present study proposes that Zn could help ameliorate the disease process of COVID‑19 infection.

摘要

RNA 依赖性 RNA 聚合酶(RdRp)和 3C 样蛋白酶(3CLpro)是在 SARS-CoV-2 复制过程中起关键作用的两种主要酶。锌(Zn)具有很强的免疫原性,并已知能与许多蛋白质结合,调节它们的活性。Zn 在病毒感染控制方面也有应用历史。因此,本研究模拟了 Zn 与 RdRp 和 3CLpro 的潜在结合。通过分子建模,发现严重急性呼吸综合征(SARS)冠状病毒(CoV)和 SARS-CoV-2 中复制病毒的上述两种重要酶的 Zn 结合位点是保守的。这些位点的位置可能影响 3CLpro 和 RdRp 在 2019 年冠状病毒病(COVID-19)中的酶活性。由于 Zn 具有已确立的免疫健康益处,易于获得、价格低廉且安全的食品补充剂,并且本研究在 SARS-CoV 和 COVID-19 之间进行了比较,因此本研究提出 Zn 可能有助于改善 COVID-19 感染的疾病过程。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c9ab/7723401/1ff3da09ab54/IJMM-47-01-0326-g04.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c9ab/7723401/41b920610484/IJMM-47-01-0326-g00.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c9ab/7723401/586c67a3a2e5/IJMM-47-01-0326-g01.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c9ab/7723401/f81dfc8e35b9/IJMM-47-01-0326-g02.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c9ab/7723401/ed8a4f318005/IJMM-47-01-0326-g03.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c9ab/7723401/1ff3da09ab54/IJMM-47-01-0326-g04.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c9ab/7723401/41b920610484/IJMM-47-01-0326-g00.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c9ab/7723401/586c67a3a2e5/IJMM-47-01-0326-g01.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c9ab/7723401/f81dfc8e35b9/IJMM-47-01-0326-g02.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c9ab/7723401/ed8a4f318005/IJMM-47-01-0326-g03.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c9ab/7723401/1ff3da09ab54/IJMM-47-01-0326-g04.jpg

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