Computational discovery of BRD4 inhibitors for neuroblastoma therapy using pharmacophore screening and molecular simulations

Abstract BRD4 (“Bromodomain-containing protein 4”), a recognized gene regulator, is an attractive target for therapeutic development, particularly for the management of neuroblastoma. An integrated pharmacoinformatic strategy for the development of new BRD4 inhibitors is examined in this research. P...

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Prif Awduron:	Iqra Ali, Mervt Almostafa, Faheem Abbas, Nancy S. Younis, Azmat Ali Khan, Galal Yahya
Fformat:	Artigo
Iaith:	Inglês
Cyhoeddwyd:	Nature Portfolio 2025-10-01
Cyfres:	Scientific Reports
Pynciau:	Bromodomain-containing protein 4 Pharmacoinformatic approach Virtual screening ADMET Molecular dynamics (MD) simulation
Mynediad Ar-lein:	https://doi.org/10.1038/s41598-025-20714-2
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