@article{063365ba568c4f04a80b5301f20820fe,
title = "Structure-based repurposing of FDA-approved drugs as inhibitors of NEDD8-activating enzyme",
abstract = "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.",
keywords = "Inhibitor, NEDD8-activating enzyme, Repurposing, Structure-based, Virtual screening",
author = "Zhong, \{Hai Jing\} and Liu, \{Li Juan\} and Chan, \{Daniel Shiu Hin\} and Wang, \{Hui Min\} and Chan, \{Philip Wai Hong\} and Ma, \{Dik Lung\} and Leung, \{Chung Hang\}",
note = "Funding Information: This work is supported by Hong Kong Baptist University (FRG2/12-13/021, FRG2/13-14/008), Centre for Cancer and Inflammation Research, School of Chinese Medicine (CCIR-SCM, HKBU), the Health and Medical Research Fund (HMRF/13121482), the Research Grants Council (HKBU/201811, HKBU/204612 and HKBU/201913), the French National Research Agency/Research Grants Council Joint Research Scheme (A-HKBU201/12), the Science and Technology Development Fund, Macao SAR (001/2012/A and 103/2012/A3) and the University of Macau (MYRG091(Y3-L2)-ICMS12-LCH, MYRG121(Y3-L2)-ICMS12-LCH and MRG023/LCH/2013/ICMS). ",
year = "2014",
month = jul,
doi = "10.1016/j.biochi.2014.03.005",
language = "English",
volume = "102",
pages = "211--215",
journal = "Biochimie",
issn = "0300-9084",
publisher = "Elsevier B.V.",
number = "1",
}