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Predicted antiviral drugs Darunavir, Amprenavir, Rimantadine and Saquinavir can potentially bind to neutralize SARS-CoV-2 conserved proteins
Journal of Biological Research-Thessaloniki ( IF 3.3 ) Pub Date : 2021-08-04 , DOI: 10.1186/s40709-021-00149-2
Umesh C Halder 1
Affiliation  

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

中文翻译:

预测的抗病毒药物 Darunavir、Amprenavir、Rimantadine 和 Saquinavir 可能结合以中和 SARS-CoV-2 保守蛋白

由于快速传播和死亡率增加,新型冠状病毒病 2019 或 COVID-19 已成为对人类社会的威胁。它使用脊椎动物宿主,目前部署人类。SARS-CoV-2的生命周期和致病性已经被破译,可能的药物靶点试验正在进行中。本研究旨在分析非结构蛋白,包括 SARS-CoV-2 的保守酶,如木瓜蛋白酶、主蛋白酶、复制酶、RNA 依赖性 RNA 聚合酶、甲基转移酶、解旋酶、外切核糖核酸酶和内切核糖核酸酶靶向所有已知药物. 基于生物信息学的网络服务器 Drug ReposeER 预测了这些分析蛋白质中的几个药物结合基序。结果显示,抗病毒药物达芦那韦、安普那韦、Rimantadine 和 Saquinavir 是最有效的 3D 药物结合基序,这些基序与 SARS-CoV-2 酶的活性位点密切相关。重新利用抗病毒药物 Darunavir、Amprenavir、Rimantadine 和 Saquinavir 来治疗 COVID-19 患者可能是有用的,可以潜在地预防人类死亡。
更新日期:2021-08-04
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