Affiliation:
1. Department of Pharmacy, Zhongshan Hospital, Fudan University (Xiamen Branch), Xiamen, China
Abstract
Background:
Currently, there are no effective differentiation-inducing agents for gliomas.
Drug repositioning is a time-saving, low-risk, and low-cost drug development strategy. In this
study, drugs that could induce the differentiation of glioma cells were searched by using a drug repositioning
strategy.
Method:
Data mining was used to screen for differentially expressed genes (DEGs). The STRING
11.0 database was used for enrichment analysis. The Connectivity Map database was used for drug
screening. The ChEMBL and STITCH databases were used to search for drug targets. The
SwissDock database was used for molecular docking.
Results:
A total of 45 DEGs were identified. The biological processes in which the DEGs were enriched
mainly involved nervous system development and the regulation of biological processes.
The enriched molecular functions mainly involved transcription-related molecular binding. The enriched
cellular components mainly involved membrane-bound organelles and cellular protrusions.
The enriched local network clusters mainly involved autophagy, the retinoic acid signalling pathway,
and DNA methylation. The drug screening results showed that the drug with the highest score
was acenocoumarol. A total of 12 acenocoumarol targets were obtained, among which histone
deacetylase 1 (HDAC1) was the target with the highest degree value; the lowest ΔG value for
acenocoumarol docked with HDAC1 was -7.52 kcal/mol, which was between those of the HDAC1
inhibitors romidepsin and vorinostat.
Conclusion:
Acenocoumarol may be a potential differentiation-inducing agent for glioma cells.
Publisher
Bentham Science Publishers Ltd.
Subject
Organic Chemistry,Computer Science Applications,Drug Discovery,General Medicine
Cited by
1 articles.
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