Drug design for Influenza A virus subtype H1N1

被引：25

作者：

Chen, Chien-Yu ^{[1
]}

Huang, Hung-Jin ^{[1
]}

Tsai, Fuu-Jen ^{[2
,3
]}

Chen, Calvin Yu-Chian ^{[1
,4
]}

机构：

[1] China Med Univ, Sch Chinese Med, Lab Computat & Syst Biol, Taichung 40402, Taiwan

[2] China Med Univ Hosp, Dept Med Genet Pediat & Med Res, Taichung 40402, Taiwan

[3] Coll Chinese Med, Taichung 40402, Taiwan

[4] Asia Univ, Dept Bioinformat, Taichung 41354, Taiwan

来源：

JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS | 2010年 / 41卷 / 01期

关键词：

H1N1; Influenza; Oseltamivir; Neuraminidase; Haemagglutinin; Dual target; Swine flu; OSELTAMIVIR-RESISTANT INFLUENZA; PHARMACOPHORE ANALYSIS; PHARMACOINFORMATICS APPROACH; INHIBITORS; SUANZAOREN; DISCOVERY; RECEPTOR; MECHANISM; INFECTION; IMMUNE;

D O I：

10.1016/j.jtice.2009.06.007

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

An outbreak of influenza A virus subtype H1N1, also known as swine flu, in Mexico was occurred in April 2009. To design drugs for treating this epidemic is urgency. In this study, we employed the new sequences (2009) to build the N1 simulation structure by homology modeling, which has been checked for high reliability by Verify Score and Ramachandran plot. The latest H1 homology model was employed from Chen's report. 365,602 compounds from NCI database have been screened by docking Study of H1 and N1, respectively. And then, nine candidates were screened and suggested as potent dual target candidates from the docking studies. In our investigation, drug resistance was found by our molecular simulation in the new N1 modeling structure to oseltamivir. However, the mechanism is still not clear; further clinical investigations are urgently required. (C) 2009 Taiwan Institute of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

引用

页码：8 / 15

页数：8

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