Sabadinine: A Potential Non-Peptide Anti-Severe Acute-Respiratory-Syndrome Agent Identified Using Structure-Aided Design

摘要

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.