Molecular Docking of Potential Inhibitors for Influenza H7N9
Joint Authors
Liu, Zekun
Zhao, Junpeng
Li, Weichen
Wang, Xinkun
Xu, Jingxuan
Xie, Jin
Tao, Ke
Shen, Li
Zhang, Ran
Source
Computational and Mathematical Methods in Medicine
Issue
Vol. 2015, Issue 2015 (31 Dec. 2015), pp.1-8, 8 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2015-03-15
Country of Publication
Egypt
No. of Pages
8
Main Subjects
Abstract EN
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 and pathogenicity.
Furthermore, H7N9 has already generated various mutations such as neuraminidase R294K mutation which could make the anti-influenza oseltamivir less effective or ineffective.
In this regard, it is urgent to develop new effective anti-H7N9 drug.
In this study, we used the general H7N9 neuraminidase and oseltamivir-resistant influenza virus neuraminidase as the acceptors and employed the small molecules including quercetin, chlorogenic acid, baicalein, and oleanolic acid as the donors to perform the molecular docking for exploring the binding abilities between these small molecules and neuraminidase.
The results showed that quercetin, chlorogenic acid, oleanolic acid, and baicalein present oseltamivir-comparable high binding potentials with neuraminidase.
Further analyses showed that R294K mutation in neuraminidase could remarkably decrease the binding energies for oseltamivir, while other small molecules showed stable binding abilities with mutated neuraminidase.
Taken together, the molecular docking studies identified four potential inhibitors for neuraminidase of H7N9, which might be effective for the drug-resistant mutants.
American Psychological Association (APA)
Liu, Zekun& Zhao, Junpeng& Li, Weichen& Wang, Xinkun& Xu, Jingxuan& Xie, Jin…[et al.]. 2015. Molecular Docking of Potential Inhibitors for Influenza H7N9. Computational and Mathematical Methods in Medicine،Vol. 2015, no. 2015, pp.1-8.
https://search.emarefa.net/detail/BIM-1057912
Modern Language Association (MLA)
Liu, Zekun…[et al.]. Molecular Docking of Potential Inhibitors for Influenza H7N9. Computational and Mathematical Methods in Medicine No. 2015 (2015), pp.1-8.
https://search.emarefa.net/detail/BIM-1057912
American Medical Association (AMA)
Liu, Zekun& Zhao, Junpeng& Li, Weichen& Wang, Xinkun& Xu, Jingxuan& Xie, Jin…[et al.]. Molecular Docking of Potential Inhibitors for Influenza H7N9. Computational and Mathematical Methods in Medicine. 2015. Vol. 2015, no. 2015, pp.1-8.
https://search.emarefa.net/detail/BIM-1057912
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1057912