Design, synthesis and biological evaluation of novel oseltamivir derivatives as potent neuraminidase inhibitors.

Bioorganic & Medicinal Chemistry Letters(2017)

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摘要
Compound 3 (a), IC50 = 39.6 μM, more effective in inhibiting subtype N1 than compound 1 (b) (with IC50 value = 61.1 μM); docking results of the potent molecule 3 and 1 binding amino acid residues with hydrogen bonds.
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关键词
Neuraminidase inhibitors,3D-QSAR,Molecular docking,Molecular dynamics simulations,Oseltamivir derivatives
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