期刊
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
卷 23, 期 22, 页码 6172-6177出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmcl.2013.08.112
关键词
3CLpro; Severe acute respiratory syndrome; SARS; MERS; Coronavirus
资金
- MLPCN [1U54 MH084659, MH084512]
- NIAID [AI060915, AI026603, AI085089]
- U.S. DOE [DE-AC02-06CH11357]
- Michigan Technology Tri-Corridor [085P1000817]
Herein we report the discovery and SAR of a novel series of SARS-CoV 3CLpro inhibitors identified through the NIH Molecular Libraries Probe Production Centers Network (MLPCN). In addition to ML188, ML300 represents the second probe declared for 3CLpro from this collaborative effort. The X-ray structure of SARS-CoV 3CLpro bound with a ML300 analog highlights a unique induced-fit reorganization of the S-2-S-4 binding pockets leading to the first sub-micromolar noncovalent 3CLpro inhibitors retaining a single amide bond. (c) 2013 Elsevier Ltd. All rights reserved.
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