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dc.contributor.authorWeerawarna, Pathum M.
dc.contributor.authorKim, Yunjeong
dc.contributor.authorKankanamalage, Anushka C. Galasiti
dc.contributor.authorDamalanka, Vishnu C.
dc.contributor.authorLushington, Gerald H.;
dc.contributor.authorAlliston, Kevin R.
dc.contributor.authorMehzabeen, Nurjahan
dc.contributor.authorBattaile, Kevin P.
dc.contributor.authorLovell, Scott
dc.contributor.authorChang, Kyeong-Ok
dc.contributor.authorGroutas, William C.
dc.identifier.citationWeerawarna, Pathum M.; Kim, Yunjeong; Kankanamalage, Anushka C. Galasiti; Damalanka, Vishnu C.; Lushington, Gerald H.; Alliston, Kevin R.; Mehzabeen, Nurjahan; Battaile, Kevin P.; Lovell, Scott; Chang, Kyeong-Ok; Groutas, William C. 2016. Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies. European Journal of Medicinal Chemistry, vol. 119, 25 August 2016:pp 300–318en_US
dc.descriptionClick on the DOI link to access the article (may not be free).en_US
dc.description.abstractOutbreaks of acute gastroenteritis caused by noroviruses constitute a public health concern worldwide. To date, there are no approved drugs or vaccines for the management and prophylaxis of norovirus infections. A potentially effective strategy for the development of norovirus therapeutics entails the discovery of inhibitors of norovirus 3CL protease, an enzyme essential for noroviral replication. We describe herein the structure-based design of the first class of permeable, triazole-based macrocyclic inhibitors of norovirus 3C-like protease, as well as pertinent X-ray crystallographic, biochemical, spectroscopic, and antiviral studies.en_US
dc.description.sponsorshipNational Institutes of Health (R01AI109039) is gratefully acknowledged. Use of the University of Kansas Protein Structure Laboratory was supported by a grant from the National Institute of General Medical Sciences (P30GM110761) of the National Institutes of Health. Use of the IMCA-CAT beamline 17-ID at the Advanced Photon Source as supported by the companies of the Industrial Macromolecular Crystallography Association through a contract with Hauptman Woodward Medical Research Institute. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357.en_US
dc.publisherElsevier B.V.en_US
dc.relation.ispartofseriesEuropean Journal of Medicinal Chemistry;v.119
dc.subjectMacrocyclic inhibitorsen_US
dc.subjectBeta-strand conformationen_US
dc.subject3CL proteaseen_US
dc.titleStructure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studiesen_US
dc.rights.holderCopyright © 2016 Elsevier B.V. All rights reserved.en_US

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