Docking study of flavonoid derivatives as potent inhibitors of influenza H1N1 virus neuraminidase

  • Authors:
    • Seyed Mahdi Sadati
    • Nematollah Gheibi
    • Saeed Ranjbar
    • Mohammad Sadegh Hashemzadeh
  • View Affiliations

  • Published online on: November 23, 2018     https://doi.org/10.3892/br.2018.1173
  • Pages: 33-38
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Abstract

Influenza type A is considered as a severe public health concern. The mechanism of drugs applied for the control of this virus depends on two surface glycoproteins with antigenic properties, namely hemagglutinin (HA) and neuraminidase (NA). HA aids the virus to penetrate cells in the early stage of infection and NA is an enzyme with the ability to break glycoside bonds, which enables virion spread through the host cell membrane. Since NA contains a relatively preserved active site, it has been an important target in drug design. Oseltamivir is a common drug used for the treatment of influenza infections, for which cases of resistance have recently been reported, giving rise to health concerns. Flavonoids are natural polyphenolic compounds with potential blocking effects in the neuraminidase active site. Based on their antiviral effect, the flavonoids quercetin, catechin, naringenin, luteolin, hispidulin, vitexin, chrysin and kaempferol were selected in the present study and compared alongside oseltamivir on molecular docking, binding energy and active site structure, in order to provide insight on the potential of these compounds as targeted drugs for the control and treatment of influenza type A. The molecular characterization of flavonoids with binding affinity was performed using AutoDock Vina software. The results indicated that these compounds may effectively block the NA active site. Therefore, these natural compounds derived from fruits have the potential for development into drugs for controlling influenza, which may aid overcome the clinical challenge of the H1N1 strain epidemic.
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January-2019
Volume 10 Issue 1

Print ISSN: 2049-9434
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Spandidos Publications style
Sadati SM, Gheibi N, Ranjbar S and Hashemzadeh MS: Docking study of flavonoid derivatives as potent inhibitors of influenza H1N1 virus neuraminidase. Biomed Rep 10: 33-38, 2019.
APA
Sadati, S.M., Gheibi, N., Ranjbar, S., & Hashemzadeh, M.S. (2019). Docking study of flavonoid derivatives as potent inhibitors of influenza H1N1 virus neuraminidase. Biomedical Reports, 10, 33-38. https://doi.org/10.3892/br.2018.1173
MLA
Sadati, S. M., Gheibi, N., Ranjbar, S., Hashemzadeh, M. S."Docking study of flavonoid derivatives as potent inhibitors of influenza H1N1 virus neuraminidase". Biomedical Reports 10.1 (2019): 33-38.
Chicago
Sadati, S. M., Gheibi, N., Ranjbar, S., Hashemzadeh, M. S."Docking study of flavonoid derivatives as potent inhibitors of influenza H1N1 virus neuraminidase". Biomedical Reports 10, no. 1 (2019): 33-38. https://doi.org/10.3892/br.2018.1173