Structure-based repurposing of FDA-approved drugs as inhibitors of NEDD8-activating enzyme

Hai Jing Zhong, Li Juan Liu, Daniel Shiu Hin Chan, Hui Min Wang, Philip Wai Hong Chan, Edmond Dik Lung MA, Chung Hang Leung*

*Corresponding author for this work

Research output: Contribution to journalJournal articlepeer-review

24 Citations (Scopus)


We report the discovery of an inhibitor of NEDD8-activating enzyme (NAE) by an integrated virtual screening approach. Piperacillin 1 inhibited NAE activity in cell-free and cell-based systems with high selectivity. Furthermore, piperacillin 1 was able to inhibit the degradation of the NAE downstream protein substrate p27kip1. Our molecular modeling and kinetic studies suggested that this compound may act as a non-covalent ATP-competitive inhibitor of NAE.

Original languageEnglish
Pages (from-to)211-215
Number of pages5
Issue number1
Publication statusPublished - Jul 2014

Scopus Subject Areas

  • Biochemistry

User-Defined Keywords

  • Inhibitor
  • NEDD8-activating enzyme
  • Repurposing
  • Structure-based
  • Virtual screening


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