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Structure-activity relationship study of peptidomimetic aldehydes as enterovirus 71 3C protease inhibitors.

Abstract：

:A series of peptidomimetic aldehydes were designed, synthesized, and evaluated for their biochemical activity against 3C protease (3Cpro) and anti-enterovirus 71 (EV71) activity in vitro. Molecular docking revealed that 5s (IC50 = 0.22 ± 0.07 μM, EC50 = 0.18 ± 0.05 μM) could bind well to the active site of EV71 3Cpro, which was consistent with the biological data compared to reference 5a (IC50 = 0.54 ± 0.02 μM, EC50 = 0.26 ± 0.07 μM). Structure and relationship study led to the discovery of aldehyde 5x (IC50 = 0.10 ± 0.02 μM, EC50 = 0.11 ± 0.07 μM), which exhibited the most potent 3Cpro inhibitory and antiviral activity.

journal_name

Eur J Med Chem

journal_title

European journal of medicinal chemistry

authors

Zhai Y,Ma Y,Ma F,Nie Q,Ren X,Wang Y,Shang L,Yin Z

doi

10.1016/j.ejmech.2016.08.064

subject

Has Abstract

pub_date

2016-11-29 00:00:00

pages

559-573

eissn

0223-5234

issn

1768-3254

pii

S0223-5234(16)30721-8

journal_volume

124

pub_type

杂志文章

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