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筛选美国食品药品监督管理局(FDA)批准的针对ACE2受体的药物:抑制新型冠状病毒(SARS-CoV-2)进入人体细胞的潜在疗法。

screening of FDA approved drugs against ACE2 receptor: potential therapeutics to inhibit the entry of SARS-CoV-2 to human cells.

作者信息

Ayyamperumal Selvaraj, Jade Dhananjay, Tallapaneni Vyshnavi, Chandrasekar M J N, Nanjan M J

机构信息

Department of Pharmaceutical Chemistry, JSS College of Pharmacy, JSS Academy of Higher Education and Research, Ooty, India.

School of Life Sciences, JSS Academy of Higher Education and Research, Ooty, India.

出版信息

J Biomol Struct Dyn. 2022;40(21):11383-11394. doi: 10.1080/07391102.2021.1960892. Epub 2021 Aug 28.


DOI:10.1080/07391102.2021.1960892
PMID:34455932
Abstract

An unknown coronavirus that emerged sometime at the end of 2019 in China, the novel SARS-CoV-2, now called COVID-19, has spread all over the world. Several efforts have been made to prevent or treat this disease, though not with success. The initiation of COVID-19 viral infection involves specific binding of SARS-CoV-2 to the host surface of the receptor, ACE2. The ACE2- SARS-CoV-2 complex then gets transferred into the endosomes where the endosomal acidic proteases cleave the S protein present in SARS-CoV-2, activating its fusion and release of the viral genome. We have carried out detailed and thorough studies to repurpose FDA approved compounds to inhibit human ACE2 receptor so as to prevent the viral entry. Our study reveals that five compounds show good binding to the ACE2 receptor and hence are potential candidates to interact with ACE2 and prevent it's recognition by the virus, SARS-CoV-2. Communicated by Ramaswamy H. Sarma.

摘要

一种于2019年末在中国出现的未知冠状病毒——新型严重急性呼吸综合征冠状病毒2(SARS-CoV-2),现称为新冠病毒病(COVID-19),已在全球传播。人们已做出多项努力来预防或治疗这种疾病,但均未成功。COVID-19病毒感染的起始涉及SARS-CoV-2与宿主受体血管紧张素转换酶2(ACE2)表面的特异性结合。然后,ACE2-SARS-CoV-2复合物被转运到内体中,在内体中,内体酸性蛋白酶切割SARS-CoV-2中存在的S蛋白,激活其融合并释放病毒基因组。我们进行了详细而深入的研究,以重新利用美国食品药品监督管理局(FDA)批准的化合物来抑制人类ACE2受体,从而防止病毒进入。我们的研究表明,有五种化合物与ACE2受体具有良好的结合,因此是与ACE2相互作用并防止其被病毒SARS-CoV-2识别的潜在候选物。由拉马斯瓦米·H·萨尔马传达。

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screening of FDA approved drugs against ACE2 receptor: potential therapeutics to inhibit the entry of SARS-CoV-2 to human cells.

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引用本文的文献

[1]
Virtual screening and molecular dynamics simulations provide insight into repurposing drugs against SARS-CoV-2 variants Spike protein/ACE2 interface.

Sci Rep. 2023-1-27

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