Susceptibility of antiviral drugs against 2009 influenza A (H1N1) virus

被引：59

作者：

Rungrotmongkol, Thanyada ^{[1
,2
]}

Intharathep, Pathumwadee ^{[1
]}

Malaisree, Maturos ^{[1
]}

Nunthaboot, Nadtanet ^{[3
]}

Kaiyawet, Nopphorn ^{[1
]}

Sompornpisut, Pornthep ^{[1
]}

Payungporn, Sanchai ^{[4
]}

Poovorawan, Yong ^{[4
]}

Hannongbua, Supot ^{[1
]}

机构：

[1] Chulalongkorn Univ, Fac Sci, Dept Chem, Bangkok 10330, Thailand

[2] Chulalongkorn Univ, Ctr Innovat Nanotechnol, Bangkok 10330, Thailand

[3] Mahasarakham Univ, Fac Sci, Dept Chem, Maha Sarakham 44150, Thailand

[4] Chulalongkorn Univ, Fac Med, Ctr Excellence Clin Virol, Bangkok 10330, Thailand

来源：

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS | 2009年 / 385卷 / 03期

关键词：

2009 H1N1 influenza A virus; Neuraminidase; M2-channel; Oseltamivir; Amantadine; Rimantadine; Molecular dynamics simulations; NEURAMINIDASE SUBTYPE N1; ADAMANTANE RESISTANCE; OSELTAMIVIR; INHIBITORS; MUTANTS; CHANNEL; N2;

D O I：

10.1016/j.bbrc.2009.05.066

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The recent outbreak of the novel strain of influenza A (H1N1) virus has raised a global concern of the future risk of a pandemic. To understand at the molecular level how this new H1N1 virus can be inhibited by the current anti-influenza drugs and which of these drugs it is likely to already be resistant to, homology modeling and MD simulations have been applied on the H1N1 neuraminidase complexed with oseltamivir, and the M2-channel with adamantanes bound. The H1N1 virus was predicted to be susceptible to oseltamivir, with all important interactions with the binding residues being well conserved. In contrast, adamantanes are not predicted to be able to inhibit the M2 function and have completely lost their binding with the M2 residues. This is mainly due to the fact that the M2 transmembrane of the new HI NI strain contains the S31N mutation which is known to confer resistance to adamantanes. (C) 2009 Elsevier Inc. All rights reserved.

引用

页码：390 / 394

页数：5

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