Drug Repurposing Identifies Inhibitors of Oseltamivir-Resistant Influenza Viruses

被引:21
作者
Bao, Ju [1 ]
Marathe, Bindumadhav [3 ]
Govorkova, Elena A. [3 ]
Zheng, Jie J. [1 ,2 ,3 ]
机构
[1] St Jude Childrens Res Hosp, Dept Biol Struct, Memphis, TN 38105 USA
[2] Univ Calif Los Angeles, David Geffen Sch Med, Stein Eye Inst, Dept Ophthalmol, Los Angeles, CA 90095 USA
[3] St Jude Childrens Res Hosp, Dept Infect Dis, Memphis, TN 38105 USA
关键词
computational chemistry; drug discovery; drug repurposing; influenza viruses; neuraminidase; A H1N1; NEURAMINIDASE; DISCOVERY; SUSCEPTIBILITY; ENERGIES; PHASE; SWINE;
D O I
10.1002/anie.201511361
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The neuraminidase (NA) inhibitor, oseltamivir, is a widely used anti-influenza drug. However, oseltamivir-resistant H1N1 influenza viruses carrying the H275Y NA mutation spontaneously emerged as a result of natural genetic drift and drug treatment. Because H275Y and other potential mutations may generate a future pandemic influenza strain that is oseltamivir-resistant, alternative therapy options are needed. Herein, we show that a structure-based computational method can be used to identify existing drugs that inhibit resistant viruses, thereby providing a first line of pharmaceutical defense against this possible scenario. We identified two drugs, nalidixic acid and dorzolamide, that potently inhibit the NA activity of oseltamivir-resistant H1N1 viruses with the H275Y NA mutation at very low concentrations, but have no effect on wild-type H1N1 NA even at a much higher concentration, suggesting that the oseltamivir-resistance mutation itself caused susceptibility to these drugs.
引用
收藏
页码:3438 / 3441
页数:4
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