Identification of Candidate Inhibitors to SARS-CoV-2's Enzymes and Potential Disruptors of Its Structural Proteins' Interactions.

BACKGROUND

Many studies have assessed the possible inhibitors for severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). However, experiences like that from human immunodeficiency virus have taught us that a multidrug approach will reduce the chance of viral resistance.

MATERIALS AND

METHODS

Here, we screened 2371 Food and Drug Administration-approved drugs for possible inhibition of nonstructural proteins of SARS-CoV-2 and expanded the work to include ligands that might interfere with the roles of structural proteins. Three different algorithms were used and suggested hits obtained using qVina were verified using Autodock Vina and leDock software.

RESULTS

Our results suggest direct-acting antivirals against hepatitis C might be efficient against SARS-CoV-2.

CONCLUSIONS

Drug repurposing is a promising approach for the rapid identification of potential treatments for emerging diseases such as coronavirus disease.