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Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
Author(s) -
Zhang Lanjun,
Huang Guolong,
Cai Qixu,
Zhao Chen,
Tang Liuyun,
Ren Haixia,
Li Peng,
Li Ning,
Huang Jianwei,
Chen Xueqin,
Guan Yi,
You Han,
Chen Shuhui,
Li Jian,
Lin Tianwei
Publication year - 2016
Publication title -
journal of molecular recognition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.401
H-Index - 79
eISSN - 1099-1352
pISSN - 0952-3499
DOI - 10.1002/jmr.2551
Subject(s) - enterovirus 71 , potency , drug discovery , drug , ligand (biochemistry) , chemistry , computational biology , enterovirus , pharmacology , biology , virology , biochemistry , virus , receptor , in vitro
Enterovirus 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 (3C pro ), a significant drug target. By X‐ray crystallography and functional assays, the interactions between inhibitors and EV71 3C pro 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. Copyright © 2016 John Wiley & Sons, Ltd.