Computational Investigation of HDLP Inhibitors toward Anticancer Drug Design: Molecular Dynamics-Based Binding Energy Evaluation and Binding Pocket Characterization
Histone deacetylases (HDACs) are well-established therapeutic targets in cancer due to their critical roles in regulating histone acetylation, chromatin structure, and gene expression, which are associated with cell growth, differentiation, and apoptosis. This study aims to investigate the binding interactions of hydro...