Anti-malarial drugs are not created equal for sars-cov-2 treatment: A computational analysis evidence
| Autor: | Simone Ronsisvalle, Giovanni Li Volti, Renato Bernardini, Rosaria Di Mauro, Federica Panarello, Giuseppina Cantarella |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
COVID19
medicine.medical_treatment Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) Pharmacology Antiviral Agents Antimalarials Chloroquine Drug Discovery medicine Humans Protease inhibitor (pharmacology) Computational analysis Darunavir Protease business.industry SARS-CoV-2 COVID-19 Lopinavir Hydroxychloroquine Molecular Docking Simulation Protease inhibitor Pharmaceutical Preparations Ritonavir Anti-malarial business medicine.drug |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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