Structure-guided optimization of dipeptidyl inhibitors of Norovirus 3CL protease

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Authors
Rathnayake, Athri D.
Kim, Yunjeong
Dampalla, Chamandi S.
Nguyen, Harry Nhat
Jesri, Abdul Rahman M.
Kashipathy, Maithri M.
Lushington, Gerald H.
Battaile, Kevin P.
Lovell, Scott
Chang, Kyeong-Ok
Advisors
Issue Date
2020-09-18
Type
Article
Keywords
Infectious diseases , Peptides and proteins , Inhibitors , Organic compounds , Toxicity
Research Projects
Organizational Units
Journal Issue
Citation
Athri D. Rathnayake, Yunjeong Kim, Chamandi S. Dampalla, Harry Nhat Nguyen, Abdul-Rahman M. Jesri, Maithri M. Kashipathy, Gerald H. Lushington, Kevin P. Battaile, Scott Lovell, Kyeong-Ok Chang, and William C. Groutas. Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Journal of Medicinal Chemistry 2020 63 (20), 11945-11963
Abstract

Acute gastroenteritis caused by noroviruses has a major impact on public health worldwide in terms of morbidity, mortality, and economic burden. The disease impacts most severely immunocompromised patients, the elderly, and children. The current lack of approved vaccines and small-molecule therapeutics for the treatment and prophylaxis of norovirus infections underscores the need for the development of norovirus-specific drugs. The studies described herein entail the use of the gem-dimethyl moiety as a means of improving the pharmacological activity and physicochemical properties of a dipeptidyl series of transition state inhibitors of norovirus 3CL protease, an enzyme essential for viral replication. Several compounds were found to be potent inhibitors of the enzyme in biochemical and cell-based assays. The pharmacological activity and cellular permeability of the inhibitors were found to be sensitive to the location of the gem-dimethyl group.

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Publisher
American Chemical Society
Journal
Book Title
Series
Journal of Medicinal Chemistry;v.63:no.20
PubMed ID
DOI
ISSN
1520-4804
EISSN