预测的抗病毒药物Darunavir、Amprenavir、金刚乙胺和沙奎那韦可能结合以中和SARS-CoV-2保守蛋白。

IF 1.9 3区 生物学 Q2 BIOLOGY Journal of Biological Research-Thessaloniki Pub Date : 2021-08-04 DOI:10.1186/s40709-021-00149-2
Umesh C Halder
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引用次数: 7

摘要

背景:新型冠状病毒病2019或COVID-19因其快速传播和死亡率上升而成为对人类社会的威胁。它使用脊椎动物作为宿主,目前部署的是人类。SARS-CoV-2的生命周期和致病性已经被破译,可能的药物靶标试验正在进行中。结果:本研究旨在分析SARS-CoV-2类木瓜蛋白酶、主蛋白酶、复制酶、RNA依赖性RNA聚合酶、甲基转移酶、解旋酶、核糖核酸外酶和核糖核酸内酶等保守酶对所有已知药物的靶点的非结构蛋白。基于生物信息学的web服务器Drug reposer预测了这些分析蛋白中的几种药物结合基序。结果显示,抗病毒药物Darunavir、Amprenavir、金刚乙胺和沙奎那韦是最有效的具有与SARS-CoV-2酶活性位点密切相关的3d药物结合基序的药物。结论:抗病毒药物Darunavir、Amprenavir、金刚乙胺和沙奎那韦重新用于治疗COVID-19患者可能有用,可以潜在地预防人类死亡。
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Predicted antiviral drugs Darunavir, Amprenavir, Rimantadine and Saquinavir can potentially bind to neutralize SARS-CoV-2 conserved proteins.

Background: Novel Coronavirus disease 2019 or COVID-19 has become a threat to human society due to fast spreading and increasing mortality. It uses vertebrate hosts and presently deploys humans. Life cycle and pathogenicity of SARS-CoV-2 have already been deciphered and possible drug target trials are on the way.

Results: The present study was aimed to analyze Non-Structural Proteins that include conserved enzymes of SARS-CoV-2 like papain-like protease, main protease, Replicase, RNA-dependent RNA polymerase, methyltransferase, helicase, exoribonuclease and endoribonucleaseas targets to all known drugs. A bioinformatic based web server Drug ReposeER predicted several drug binding motifs in these analyzed proteins. Results revealed that anti-viral drugs Darunavir,Amprenavir, Rimantadine and Saquinavir were the most potent to have 3D-drug binding motifs that were closely associated with the active sites of the SARS-CoV-2 enzymes .

Conclusions:  Repurposing of the antiviral drugs Darunavir, Amprenavir, Rimantadine and Saquinavir to treat COVID-19 patients could be useful that can potentially prevent human mortality.

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来源期刊
CiteScore
5.20
自引率
0.00%
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0
审稿时长
>12 weeks
期刊介绍: Journal of Biological Research-Thessaloniki is a peer-reviewed, open access, international journal that publishes articles providing novel insights into the major fields of biology. Topics covered in Journal of Biological Research-Thessaloniki include, but are not limited to: molecular biology, cytology, genetics, evolutionary biology, morphology, development and differentiation, taxonomy, bioinformatics, physiology, marine biology, behaviour, ecology and conservation.
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