Document Type

Journal Article

Department/Unit

Department of Chemistry

Title

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

Language

English

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. © 2014 The Authors. Published by Elsevier Masson SAS.

Keywords

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

Publication Date

2014

Source Publication Title

Biochimie

Volume

102

Start Page

211

End Page

215

Publisher

Elsevier

DOI

10.1016/j.biochi.2014.03.005

ISSN (print)

03009084

ISSN (electronic)

16386183

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