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TitleDesign, Synthesis, and Evaluation of Novel Enterovirus 71 Inhibitors as Therapeutic Drug Leads for the Treatment of Human Hand, Foot, and Mouth Disease.
Journal, issue, pagesJ Med Chem, Vol. 63, Issue 3, Page 1233-1244, Year 2020
Publish dateFeb 13, 2020
AuthorsMin Zhang / Ying Wang / Wanli He / Yao Sun / Yan Guo / Weilong Zhong / Qiang Gao / Mingyang Liao / Xiangxi Wang / Yan Cai / Yu Guo / Zihe Rao /
PubMed AbstractHuman hand, foot, and mouth disease (HFMD) is a serious public health threat with high infection rates in children and infants who reside in Asia and the Pacific regions, and no effective drugs are ...Human hand, foot, and mouth disease (HFMD) is a serious public health threat with high infection rates in children and infants who reside in Asia and the Pacific regions, and no effective drugs are currently available. Enterovirus 71 (EV71) and coxsackievirus A16 are the major etiological pathogens. Based on an essential hydrophobic pocket on the viral capsid protein VP1, we designed and synthesized a series of small molecular weight compounds as inhibitors of EV71. A potential drug candidate named exhibited excellent antiviral activity (with an EC of 5.056 nM and a 100% protection rate for mice at a dose of 20 mg/kg) and low toxicity. had a favorable pharmacokinetic profile. High-resolution cryo-electron microscopy structural analysis confirmed bound to the hydrophobic pocket in VP1 to block viral infection. In general, was indicated to be a promising potential drug candidate for the treatment of HFMD.
External linksJ Med Chem / PubMed:31939669
MethodsEM (single particle)
Resolution3.264 Å
Structure data

0943

6lqd

EMDB-0943, PDB-6lqd:
Structure of Enterovirus 71 in complex with NLD-22
Method: EM (single particle) / Resolution: 3.264 Å

Chemicals

ChemComp-EQ9:
1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one

Source
  • human enterovirus 71
KeywordsVIRUS / Inhibitor

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