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Article: Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71

TitleOptimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
Authors
Zhang, LHuang, GCai, QZhao, CTang, LRen, HLi, PLi, NHuang, JChen, XGuan, YYou, HChen, SLi, JLin, T
Keywords3C proteinase
cysteine protease
drug design and development
drug interaction
enterovirus 71
hand, foot and mouth disease
Issue Date2016
Citation
Journal of Molecular Recognition, 2016, v. 29 n. 11, p. 520-27 How to Cite?
DOI: http://dx.doi.org/10.1002/jmr.2551
AbstractEnterovirus 71 (EV71) is the causative agent of hand, foot and mouth disease and can spread its infections to the central nervous and other systems with severe consequences. The replication of EV71 depends on its 3C proteinase (3Cpro ), a significant drug target. By X-ray crystallography and functional assays, the interactions between inhibitors and EV71 3Cpro were evaluated. It was shown that improved interactions at S4 for the substrate binding could significantly enhance the potency. A new series of potent inhibitors with high ligand efficiency was generated for developing antivirals to treat and control the EV71-associated diseases.
Persistent Identifierhttp://hdl.handle.net/10722/236524
ISI Accession Number ID
WOS:000385725900001

 

DC FieldValueLanguage
dc.contributor.authorZhang, L-
dc.contributor.authorHuang, G-
dc.contributor.authorCai, Q-
dc.contributor.authorZhao, C-
dc.contributor.authorTang, L-
dc.contributor.authorRen, H-
dc.contributor.authorLi, P-
dc.contributor.authorLi, N-
dc.contributor.authorHuang, J-
dc.contributor.authorChen, X-
dc.contributor.authorGuan, Y-
dc.contributor.authorYou, H-
dc.contributor.authorChen, S-
dc.contributor.authorLi, J-
dc.contributor.authorLin, T-
dc.date.accessioned2016-11-25T00:54:36Z-
dc.date.available2016-11-25T00:54:36Z-
dc.date.issued2016-
dc.identifier.citationJournal of Molecular Recognition, 2016, v. 29 n. 11, p. 520-27-
dc.identifier.urihttp://hdl.handle.net/10722/236524-
dc.description.abstractEnterovirus 71 (EV71) is the causative agent of hand, foot and mouth disease and can spread its infections to the central nervous and other systems with severe consequences. The replication of EV71 depends on its 3C proteinase (3Cpro ), a significant drug target. By X-ray crystallography and functional assays, the interactions between inhibitors and EV71 3Cpro were evaluated. It was shown that improved interactions at S4 for the substrate binding could significantly enhance the potency. A new series of potent inhibitors with high ligand efficiency was generated for developing antivirals to treat and control the EV71-associated diseases.-
dc.languageeng-
dc.relation.ispartofJournal of Molecular Recognition-
dc.subject3C proteinase-
dc.subjectcysteine protease-
dc.subjectdrug design and development-
dc.subjectdrug interaction-
dc.subjectenterovirus 71-
dc.subjecthand, foot and mouth disease-
dc.titleOptimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71-
dc.typeArticle-
dc.identifier.emailGuan, Y: yguan@hkucc.hku.hk-
dc.identifier.authorityGuan, Y=rp00397-
dc.identifier.doi10.1002/jmr.2551-
dc.identifier.scopuseid_2-s2.0-84990829349-
dc.identifier.hkuros270632-
dc.identifier.volume29-
dc.identifier.issue11-
dc.identifier.spage520-
dc.identifier.epage27-
dc.identifier.isiWOS:000385725900001-

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