-

nihao guest [ sign in / register ]
2019-8-19 10:34:24


Zhao ZX, Cheng LP, Li M, Pang W, Wu FH. Discovery of novel acylhydrazone neuraminidase inhibitors. Eur J Med Chem. 2019 Apr 5;173:305-313
submited by kickingbird at Apr, 27, 2019 11:38 AM from Eur J Med Chem. 2019 Apr 5;173:305-313

Neuraminidase (NA) plays a crucial role in the replication and transmission of influenza virus. NA inhibitors have been developed as effective treatments for influenza A and B infections. In this paper, a new lead neuraminidase inhibitor 6a (IC50?=?7.10?±?0.2?μM) was discovered by ligand-based virtual screening, receptor-based virtual screening, molecular dynamics simulation (MD), and bioassay validation. MD simulation indicates that the morpholinyl group of 6a could be embedded in 430-loop of NA. To exploit the 430-loop in the active site, a series of novel acylhydrazone NA inhibitors 6b-6g were designed and synthesized based on the lead compound 6a. Compound 6e exerts the most potency, with IC50 value of 2.37?±?0.5?μM against NA, which is lower than that of oseltamivir carboxylate (OC) (IC50?=?3.84?μM). Overall, this work provided unique insights in the discovery of potent inhibitors against NA.

See Also:

Latest articles in those days:

[Go Top]    [Close Window]

Related Pages:
Learn about the flu news, articles, events and more
Subscribe to the weekly F.I.C newsletter!


  

Site map  |   Contact us  |  Term of use  |  FAQs
Copyright ©www.flu.org.cn. 2004-2019. All Rights Reserved. Powered by FIC 4.0.1
  Email:webmaster@flu.org.cn