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Molecular docking and dynamics simulation of some dual CK2/HDAC inhibitors targeting histone deacetylase1

Title: Molecular docking and dynamics simulation of some dual CK2/HDAC inhibitors targeting histone deacetylase1
Authors: Klenina , O. V.; Márquez Cantudo, Laura; Coderch, Claire; Fernandez, Beatriz de Pascual-Teresa
Source: Current chemical problems; 2025; 55-55 ; Хімічні проблеми сьогодення; 2025; 55-55 ; 2708-0544 ; 2708-0536
Publisher Information: Current chemical problems; Хімічні проблеми сьогодення
Publication Year: 2025
Description: Histone deacetylases (HDACs) are a family of epigenetic proteins that control gene transcription and regulation, alongside cell proliferation, differentiation, migration, death, and angiogenesis [1]. Histone deacetylase inhibitors (HDACi) have vast potential as therapeutic agents for the treatment of cancer and have demonstrated anticancer efficacy across a range of cancers, most impressively in haematological malignancies [2]. One of the rapidly growing fields of research in anticancer therapy is the construction of dual HDAC/kinase inhibitors, a few of them are currently in preclinical and clinical trials [3]. Some novel CK2/HDAC inhibitors were synthesized at the Department of Chemistry and Biochemistry, San Pablo CEU University, Madrid, Spain, through combining the distinct pharmacophores of Tucidinostat and CX-4945.
Document Type: article in journal/newspaper
File Description: application/pdf
Language: English
Relation: https://jhps.donnu.edu.ua/article/view/17391/17282; https://jhps.donnu.edu.ua/article/view/17391
Availability: https://jhps.donnu.edu.ua/article/view/17391
Accession Number: edsbas.518164F3
Database: BASE