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Drug repurposing against SARS-CoV-2 using computational approaches
Affiliation:1. Department of Chemistry, Miranda House, University of Delhi, Delhi 110007, India;2. Department of Organic and Bioorganic Chemistry, State Scientific Institution ‘Institute for Single Crystals’, National Academy of Sciences of Ukraine, Nauky Ave. 60, Kharkiv 61001, Ukraine;3. Laboratory for Translational Chemistry and Drug Discovery, Department of Chemistry, Hansraj College, University of Delhi, India
Abstract:The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic has generated a critical need for treatments to reduce morbidity and mortality associated with this disease. However, traditional drug development takes many years, which is not practical solution given the current pandemic. Therefore, a viable option is to repurpose existing drugs. The structural data of several proteins vital for the virus became available shortly after the start of the pandemic. In this review, we discuss the importance of these targets and their available potential inhibitors predicted by the computational approaches. Among the hits identified by computational approaches, 35 candidates were suggested for further evaluation, among which ten drugs are in clinical trials (Phase III and IV) for treating Coronavirus 2019 (COVID-19).
Keywords:COVID-19  SARS-CoV-2  Drug repurposing  Computational approaches  Molecular docking
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