Show simple item record

dc.contributor.authorDamalanka, Vishnu C.
dc.contributor.authorKim, Yunjeong
dc.contributor.authorKankanamalage, Anushka C. Galasiti
dc.contributor.authorRathnayake, Athri D.
dc.contributor.authorMehzabeen, Nurjahan
dc.contributor.authorBattaile, Kevin P.
dc.contributor.authorLovell, Scott
dc.contributor.authorNguyen, Harry Nhat
dc.contributor.authorLushington, Gerald H.
dc.contributor.authorChang, Kyeong-Ok
dc.contributor.authorGroutas, William C.
dc.identifier.citationDamalanka, Vishnu C.; Kim, Yunjeong; Kankanamalage, Anushka C. Galasiti; Rathnayake, Athri D.; Mehzabeen, Nurjahan; Battaile, Kevin P.; Lovell, Scott; Nguyen, Harry Nhat; Lushington, Gerald H.; Chang, Kyeong-Ok; Groutas, William C. 2018. Structure-guided design, synthesis and evaluation of oxazolidinone-based inhibitors of norovirus 3CL protease. European Journal of Medicinal Chemistry, vol. 143:pp 881-890en_US
dc.descriptionClick on the DOI link to access the article (may not be free).en_US
dc.description.abstractAcute nonbacterial gastroenteritis caused by noroviruses constitutes a global public health concern and a significant economic burden. There are currently no small molecule therapeutics or vaccines for the treatment of norovirus infections. A structure-guided approach was utilized in the design of a series of inhibitors of norovirus 3CL protease that embody an oxazolidinone ring as a novel design element for attaining optimal binding interactions. Low micromolar cell-permeable inhibitors that display ant-inorovirus activity have been identified. The mechanism of action, mode of binding, and structural rearrangements associated with the interaction of the inhibitors and the enzyme were elucidated using X-ray crystallography.en_US
dc.description.sponsorshipNational Institutes of Health (AI109039) 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 was 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.relation.ispartofseriesEuropean Journal of Medicinal Chemistry;v.143
dc.subjectTransition-state inhibitorsen_US
dc.subjectData qualityen_US
dc.subjectMacromolecular crystallographyen_US
dc.subjectMacrocyclic inhibitorsen_US
dc.titleStructure-guided design, synthesis and evaluation of oxazolidinone-based inhibitors of norovirus 3CL proteaseen_US
dc.rights.holder© 2017 Elsevier Masson SAS. All rights reserved.en_US

Files in this item


There are no files associated with this item.

This item appears in the following Collection(s)

Show simple item record