抗疟药物在 SARS-CoV-2 治疗中并非一概而论：一项计算分析证据。
Anti-malarial Drugs are Not Created Equal for SARS-CoV-2 Treatment: A Computational Analysis Evidence.
机构信息
Department of Drug Sciences, University of Catania, Viale Andrea Doria, 6 95125 Catania, Italy.
Department of Biomedical and Biotechnological Sciences, University of Catania, Via S. Sofia 97, 95131 Catania, Italy.
出版信息
Curr Pharm Des. 2021;27(10):1323-1329. doi: 10.2174/1381612826666201210092736.
BACKGROUND
The evolution of the pandemic has burdened the national healthcare systems worldwide and at present, there is no preferred antiviral treatment for COVID-19. Recently, the SARS-Cov-2 protease structure was released that may be exploited in in-silico studies in order to conduct molecular docking analysis.
METHODS
In particular, we compared the binding of twoantimalarial drugs, already in use, (i.e. chloroquine and hydroxychloroquine), which showed some potential clinical effects on COVID-19 patients, using ritonavir, lopinavir and darunavir as positive control tree antiviral recognized compounds.
RESULTS
Our results showed that hydroxychloroquine but not chloroquine exhibited a significant binding activity to the main protease similar to that possessed by protease inhibitors tested for other viral infections.
CONCLUSION
Our data suggest that hydroxychloroquine may exert additional direct antiviral activity compared to chloroquine. In the absence of clinical studies comparing the efficacy of these two compounds, hydroxychloroquine may offer additional effects and may be considered as the first choice.
背景
大流行的演变给全球的国家医疗系统带来了负担，目前，针对 COVID-19 还没有首选的抗病毒治疗方法。最近，SARS-Cov-2 蛋白酶结构被公布，这可能会在计算机模拟研究中被利用，以便进行分子对接分析。
方法
特别是，我们比较了两种已用于治疗疟疾的药物（即氯喹和羟氯喹）的结合能力，这两种药物对 COVID-19 患者显示出了一些潜在的临床效果，同时使用利托那韦、洛匹那韦和达鲁那韦作为阳性对照的已被认可的抗病毒化合物。
结果
我们的结果表明，羟氯喹而非氯喹对主蛋白酶表现出显著的结合活性，类似于其他病毒感染的蛋白酶抑制剂所具有的活性。
结论
我们的数据表明，羟氯喹可能比氯喹具有额外的直接抗病毒活性。在没有比较这两种化合物疗效的临床研究的情况下，羟氯喹可能会提供额外的效果，并可被视为首选。
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