3D-quantitative structure-activity relationship and antiviral effects of curcumin derivatives as potent inhibitors of influenza H1N1 neuraminidase.

摘要: Curcumin derivatives have been shown to inhibit replication of human influenza A viruses (IAVs). However, it is not clear whether curcumin and its can neuraminidase (NA) virus. In this study, a meaningful 3D quantitative structure–activity relationship model (comparative molecular field analysis R2 = 0.997, q2 = 0.527, s = 0.064, F = 282.663) was built understand the chemical–biological interactions between their activities neuraminidase. Molecular docking used predict binding models Real-time polymerase chain reactions showed that five active might direct effects on viral particle infectivity in H1N1-infected lung epithelial (MDCK) cells. Neuraminidase activation assay decreased H1N1-induced MDCK Indirect immunofluorescence indicated two (tetramethylcurcumin curcumin) down-regulated nucleoprotein expression. inhibited IAV vivo. The therapeutic mechanism treatment pneumonia related improving immune function infected mice regulating secretion tumor necrosis-α, interleukin-6, interferon-γ. These results indicate by blocking cellular also has anti-IAV activity animal model.