Abstract
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.
Highlights
Humanity is trying to understand coronavirus disease-19 (COVID-19) at the same time severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection overcomes frontiers and spreads out through the world
SARS-CoV-2 infection depends on viral polyprotein processing, an event catalysed by the main proteinase (Mpro)
Since Mpro is unique in the virus and not found in the host cells, this protein is a prominent target for the development of antivirals against coronavirus infections.[1]. Recently, the solution of the SARS-CoV-2 Mpro tridimensional structure allowed the investigation of potential inhibitors of viral replication
Summary
Humanity is trying to understand coronavirus disease-19 (COVID-19) at the same time severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection overcomes frontiers and spreads out through the world. Since Mpro is unique in the virus and not found in the host cells, this protein is a prominent target for the development of antivirals against coronavirus infections.[1] Recently, the solution of the SARS-CoV-2 Mpro tridimensional structure allowed the investigation of potential inhibitors of viral replication. The crystal structure of SARS-CoV-2 Mpro was published by Zhang et al[2] We selected a list of existing antivirals drugs (64 compounds) and protease inhibitors (80 compounds) from the Drugbank Database[3] as ligands.
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