Structure-based screening of FDA-approved drugs identifies potential histone deacetylase 3 repurposed inhibitor: molecular docking and molecular dynamic simulation approaches

Histone deacetylase 3 (HDAC3) is a member of the histone deacetylase family that has emerged as a crucial target in the quest for novel therapeutic interventions against various complex diseases, including cancer. The repositioning of FDA-approved drugs presents a promising avenue for the rapid disc...

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Autors principals:	Anas Shamsi, Mohd Shahnawaz Khan, Dharmendra Kumar Yadav, Moyad Shahwan
Format:	Artigo
Idioma:	Inglês
Publicat:	Frontiers Media S.A. 2024-06-01
Col·lecció:	Frontiers in Pharmacology
Matèries:	histone deacetylase 3 FDA approved drugs imatinib carpipramine virtual screening molecular dynamic (MD) simulations
Accés en línia:	https://www.frontiersin.org/articles/10.3389/fphar.2024.1424175/full
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