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Discovery of Potent Anilide Inhibitors against the Severe Acute Respiratory Syndrome 3CL Protease

2005; American Chemical Society; Volume: 48; Issue: 13 Linguagem: Inglês

10.1021/jm050184y

1520-4804

Jiun‐Jie Shie, Jim‐Min Fang, Chih‐Jung Kuo, Tun‐Hsun Kuo, Po‐Huang Liang, Hung‐Jyun Huang, Wen‐Bin Yang, Chun‐Hung Lin, Jiun-Ling Chen, Yin-Ta Wu, Chi‐Huey Wong,

interferon and immune responses

A diversified library of peptide anilides was prepared, and their inhibition activities against the SARS-CoV 3CL protease were examined by a fluorogenic tetradecapeptide substrate. The most potent inhibitor is an anilide derived from 2-chloro-4-nitroaniline, l-phenylalanine and 4-(dimethylamino)benzoic acid. This anilide is a competitive inhibitor of the SARS-CoV 3CL protease with Ki = 0.03 μM. The molecular docking experiment indicates that the P1 residue of this anilide inhibitor is distant from the nucleophilic SH of Cys145 in the active site.