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

Sadati,Seyed   Mahdi; Gheibi,Nematollah; Ranjbar,Saeed; Hashemzadeh,Mohammad  Sadegh

doi:10.3892/br.2018.1173

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

Authors:
- Seyed Mahdi Sadati
- Nematollah Gheibi
- Saeed Ranjbar
- Mohammad Sadegh Hashemzadeh
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Affiliations: Applied Virology Research Center, Baqiyatallah University of Medical Sciences, Tehran 14359‑16471, Iran, Cellular and Molecular Research Center, Qazvin University of Medical Sciences, Qazvin 34156‑13911, Iran, Department of Medical Biotechnology, Faculty of Medical Sciences, Tarbiat Modares University, Tehran 14115‑111, Iran
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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