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Combined in silico strategy for repurposing DrugBank entries towards introducing potential antiSARS-CoV-2 drugs.

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The emergence of SARS-CoV-2 from China in December 2019 led to the COVID-19 pandemic, which has affected tens of millions of humans worldwide. Various in silico research via bio-cheminformatics methods… Click to show full abstract

The emergence of SARS-CoV-2 from China in December 2019 led to the COVID-19 pandemic, which has affected tens of millions of humans worldwide. Various in silico research via bio-cheminformatics methods was performed to examine the efficiency of a range of repurposed approved drugs with a new role as antiSARS-CoV-2 drugs. The current study has been performed to screen the approved drugs in the DrugBank database based on a novel bioinformatics/cheminformatics strategy to repurpose available approved drugs towards introducing them as a possible antiSARS-CoV-2 drug. As a result, 96 approved drugs with the best docking scores passed through several relevant filters were presented as the candidate drugs with potential novel antiviral activities against the SARS-CoV-2 virus.

Keywords: approved drugs; cov drugs; strategy; combined silico; towards introducing; antisars cov

Journal Title: Canadian journal of physiology and pharmacology
Year Published: 2023

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