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Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach.
Memórias do Instituto Oswaldo Cruz ( IF 2.5 ) Pub Date : 2020-06-01 , DOI: 10.1590/0074-02760200179
Ísis Venturi Biembengut 1 , Tatiana de Arruda Campos Brasil de Souza 1
Affiliation  

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection depends on viral polyprotein processing, catalysed by the main proteinase (Mpro). The solution of the SARS-CoV-2 Mpro structure allowed the investigation of potential inhibitors. This work aims to provide first evidences of the applicability of commercially approved drugs to treat coronavirus disease-19 (COVID-19). We screened 4,334 compounds to found potential inhibitors of SARS-CoV-2 replication using an in silico approach. Our results evidenced the potential use of coagulation modifiers in COVID-19 treatment due to the structural similarity of SARS-CoV-2 Mpro and human coagulation factors thrombin and Factor Xa. Further in vitro and in vivo analysis are needed to corroborate these results.

中文翻译:

针对SARS-CoV-2主要蛋白酶Mpro的凝血修饰剂,用于COVID-19治疗:计算机方法。

严重的急性呼吸系统综合症冠状病毒2(SARS-CoV-2)感染取决于主要蛋白酶(Mpro)催化的病毒多蛋白加工。SARS-CoV-2 Mpro结构的溶液可以研究潜在的抑制剂。这项工作旨在提供商业上认可的药物治疗冠状病毒疾病19(COVID-19)的适用性的初步证据。我们使用计算机方法筛选了4,334种化合物,以发现潜在的SARS-CoV-2复制抑制剂。我们的结果证明了由于SARS-CoV-2 Mpro与人类凝血因子凝血酶和凝血因子Xa的结构相似性,凝血修饰剂在COVID-19治疗中的潜在用途。需要进一步的体外和体内分析以证实这些结果。
更新日期:2020-06-01
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