?:abstract
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The SARS-CoV-2 outbreak caused an unprecedented global public health threat, having a high transmission rate with currently no drugs or vaccines approved An alternative powerful additional approach to counteract COVID-19 is em in silico /em drug repurposing The SARS-CoV-2 main protease is essential for viral replication and an attractive drug target In this study, we used the virtual screening (VS) protocol with both long-range and short-range interactions to select candidate SARS-CoV-2 main protease inhibitors First, the ISM applied for Small Molecules was used for searching the Drugbank database and further followed by molecular docking After em in silico /em screening of drug space, we identified 57 drugs as potential SARS-CoV-2 main protease inhibitors that we propose for further experimental testing
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