Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study
Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study
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DOI：
10.1016/j.lfs.2020.117592
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发表时间：
2020-07-15
期刊：
影响因子：
6.1
通讯作者：
Elfiky, Abdo A.
中科院分区：
文献类型：
--
作者：
Elfiky, Abdo A.
目的：一种新的人类冠状病毒，已被命名为SARS-CoV-2，于2019年12月在武汉市开始传播，中国引起的肺炎称为新冠肺炎。SARS-CoV-2的传播速度比任何其他成功跨越动物-人类屏障的冠状病毒都要快。令人担忧的是，这种新病毒将像前两种HCoV一样在世界各地传播--严重急性呼吸系统综合症(SARS)和中东呼吸综合征(MERS)--这两种病毒分别在2002年和2012年造成约800人死亡。到目前为止，在168个国家和地区的258,842例确诊病例中，已有11,268人死亡。主要方法：在这项研究中，对新出现的冠状病毒的RNA依赖RNA聚合酶(RdRp)进行建模、验证，然后使用目前市场上已批准用于对抗各种病毒的不同抗聚合酶药物进行靶向治疗。主要发现：结果表明，利巴韦林、雷米西韦、索波布韦、伽利西韦和替诺福韦是有效对抗SARS-CoV-2的药物，因为它们与其RdRp紧密结合。此外，研究结果还表明，鸟苷衍生物(IDX-184)、塞罗布韦和牦牛是抗病毒药物的首选种子，对对抗SARS-CoV-2毒株具有很高的潜力。意义：FDA批准的抗RdRp药物的供应可以帮助患者治疗，降低神秘的新型病毒感染新冠肺炎的危险。上述药物可与SARS-CoV-2毒株的RdRp紧密结合，因此可用于治疗该疾病。这些药物不需要进行毒性测试，因为它们在FDA批准之前进行了测试。
Aims: A new human coronavirus (HCoV), which has been designated SARS-CoV-2, began spreading in December 2019 in Wuhan City, China causing pneumonia called COVID-19. The spread of SARS-CoV-2 has been faster than any other coronaviruses that have succeeded in crossing the animal-human barrier. There is concern that this new virus will spread around the world as did the previous two HCoVs-Severe Acute Respiratory Syndrome (SARS) and Middle East Respiratory Syndrome (MERS)-each of which caused approximately 800 deaths in the years 2002 and 2012, respectively. Thus far, 11,268 deaths have been reported from the 258,842 confirmed infections in 168 countries.Main methods: In this study, the RNA-dependent RNA polymerase (RdRp) of the newly emerged coronavirus is modeled, validated, and then targeted using different anti-polymerase drugs currently on the market that have been approved for use against various viruses.Key findings: The results suggest the effectiveness of Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir as potent drugs against SARS-CoV-2 since they tightly bind to its RdRp. In addition, the results suggest guanosine derivative (IDX-184), Setrobuvir, and YAK as top seeds for antiviral treatments with high potential to fight the SARS-CoV-2 strain specifically.Significance: The availability of FDA-approved anti-RdRp drugs can help treat patients and reduce the danger of the mysterious new viral infection COVID-19. The drugs mentioned above can tightly bind to the RdRp of the SARS-CoV-2 strain and thus may be used to treat the disease. No toxicity measurements are required for these drugs since they were previously tested prior to their approval by the FDA.