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JOURNAL OF MEDICINAL CHEMISTRY
Volume 47, Issue 5, Pages 1079-1080Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jm034137m
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A novel human coronavirus has been reported to be the causative agent of severe acute respiratory syndrome (SARS). Since replication of HcoVs depends on extensive proteolytic processing, the main proteinase, 3CL(pro), is an attractive drug target for anti-SARS agents. We have employed molecular docking of a chemical database into the active site of 3CL(pro) to search for non-peptidyl inhibitors. One compound was identified to be the natural product sabadinine, isolated from a historical herbal remedy.
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