Structure-based identification of a NEDD8-activating enzyme inhibitor via drug repurposing

European Journal of Medicinal Chemistry
2018.0

Abstract

NEDD8-activating enzyme (NAE) is an essential player of the NEDD8 conjugation pathway that regulates protein degradation. Meanwhile, drug repurposing is a cost-efficient strategy to identify new therapeutic uses for existing scaffolds. In this report, mitoxantrone (1) was repurposed as an inhibitor of NAE by virtual screening of an FDA-approved drug database. Compound 1 inhibited NAE activity in cell-free and cell-based systems with high selectivity and was competitive with ATP. Furthermore, compound 1 induced apoptosis of colorectal adenocarcinoma cancer cells through inhibiting the degradation of the neddylation substrate p53.

Knowledge Graph

Similar Paper

Structure-based identification of a NEDD8-activating enzyme inhibitor via drug repurposing
European Journal of Medicinal Chemistry 2018.0
Discovery of candesartan cilexetic as a novel neddylation inhibitor for suppressing tumor growth
European Journal of Medicinal Chemistry 2020.0
Identification of mitoxantrone as a new inhibitor of ROS1 fusion protein in non-small cell lung cancer cells
Med. Chem. Commun. 2017.0
Discovery of 1,2,4-triazine-based derivatives as novel neddylation inhibitors and anticancer activity studies against gastric cancer MGC-803 cells
Bioorganic & Medicinal Chemistry Letters 2020.0
Discovery of novel tertiary amide derivatives as NEDDylation pathway activators to inhibit the tumor progression in vitro and in vivo
European Journal of Medicinal Chemistry 2020.0
Drug repurposing: Discovery of troxipide analogs as potent antitumor agents
European Journal of Medicinal Chemistry 2020.0
Structure-Based Design of Potent Nicotinamide Phosphoribosyltransferase Inhibitors with Promising in Vitro and in Vivo Antitumor Activities
Journal of Medicinal Chemistry 2016.0
A novel aminopeptidase N inhibitor developed by virtual screening approach
Bioorganic & Medicinal Chemistry Letters 2012.0
Discovery of Small Molecules Simultaneously Targeting NAD(P)H:Quinone Oxidoreductase 1 and Nicotinamide Phosphoribosyltransferase: Treatment of Drug-Resistant Non-small-Cell Lung Cancer
Journal of Medicinal Chemistry 2022.0
A New Target for an Old Drug: Identifying Mitoxantrone as a Nanomolar Inhibitor of PIM1 Kinase via Kinome-Wide Selectivity Modeling
Journal of Medicinal Chemistry 2013.0