Structure-based repurposing of FDA-approved drugs as inhibitors of NEDD8-activating enzyme
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- 作者：Hai-Jing Zhonga ; Li-Juan Liua ; Daniel Shiu-Hin Chanb ; Hui-Min Wangc ; Philip Wai Hong Chand ; Dik-Lung Mab ; edmondma@hkbu.edu.hk" class="auth_mail ; Chung-Hang Leunga ; duncanleung@umac.mo" class="auth_mail
- 关键词：Virtual screening ; NEDD8-activating enzyme ; Repurposing ; Inhibitor ; Structure-based
- 刊名：Biochimie
- 出版年：July 2014
- 年：2014
- 卷：102
- 期：Complete
- 页码：211-215
- 全文大小：591 K
文摘
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3000 FDA-approved drugs were screened against NEDD8-activating enzyme in silico.
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Piperacillin 1 inhibited NAE activity in cell-free and cell-based systems.
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Piperacillin 1 was selective for NAE over SAE and ubiquitin E2 in human cells.
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Molecular modeling revealed piperacillin 1 bound to the ATP-binding region of NAE.