SARS-CoV-2 蛋白的分子研究及其与抗病毒药物的相互作用。
Molecular Investigation of SARS-CoV-2 Proteins and Their Interactions with Antiviral Drugs.
机构信息
Department of Chemical Sciences and Technologies, University of Rome Tor Vergata, Via della Ricerca Scientifica 1, 00133 Rome, Italy.
出版信息
Viruses. 2020 Apr 14;12(4):445. doi: 10.3390/v12040445.
A new Coronavirus strain, named SARS-CoV-2, suddenly emerged in early December 2019. SARS-CoV-2 resulted in being dramatically infectious, with thousands of people infected. In this scenario, and without effective vaccines available, the importance of an immediate tool to support patients and against viral diffusion becomes evident. In this study, we exploit the molecular docking approach to analyze the affinity between different viral proteins and several inhibitors, originally developed for other viral infections. Our data show that, in some cases, a relevant binding can be detected. These findings support the hypothesis to develop new antiviral agents against COVID-19, on the basis of already established therapies.
一种新型冠状病毒株，名为 SARS-CoV-2，于 2019 年 12 月初突然出现。SARS-CoV-2 具有很强的传染性，导致数千人感染。在这种情况下，由于没有有效的疫苗，因此立即需要一种工具来支持患者并阻止病毒传播。在这项研究中，我们利用分子对接方法来分析不同病毒蛋白与几种最初为其他病毒感染开发的抑制剂之间的亲和力。我们的数据表明，在某些情况下，可以检测到相关的结合。这些发现支持了基于已建立的治疗方法开发针对 COVID-19 的新型抗病毒药物的假设。
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