As a new strain of virus emerged in 2013, avian influenza A (H7N9) virus is a threat to the public health, due to its high lethality\nand pathogenicity. Furthermore, H7N9 has already generated various mutations such as neuraminidase R294K mutation which\ncould make the anti-influenza oseltamivir less effective or ineffective. In this regard, it is urgent to develop new effective anti-\nH7N9 drug. In this study, we used the general H7N9 neuraminidase and oseltamivir-resistant influenza virus neuraminidase as the\nacceptors and employed the small molecules including quercetin, chlorogenic acid, baicalein, and oleanolic acid as the donors to\nperform the molecular docking for exploring the binding abilities between these small molecules and neuraminidase. The results\nshowed that quercetin, chlorogenic acid, oleanolic acid, and baicalein present oseltamivir-comparable high binding potentials with\nneuraminidase. Further analyses showed that R294K mutation in neuraminidase could remarkably decrease the binding energies\nfor oseltamivir, while other small molecules showed stable binding abilities with mutated neuraminidase. Taken together, the\nmolecular docking studies identified four potential inhibitors for neuraminidase of H7N9, which might be effective for the drugresistant\nmutants.
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