Archiv für chirurgische Onkologie

The Structure of the Histone Deacetylase Family and the Use of Combined Computational Techniques

Abstract

Axenic Jelio*

The Histone Deacetylase (HDAC) family plays a crucial role in regulating gene expression by modulating chromatin structure and function. HDACs remove acetyl groups from lysine residues on histone proteins, leading to chromatin condensation and transcriptional repression. The family comprises 18 enzymes categorized into four classes based on their sequence homology and domain organization: Class I, II (subdivided into IIa and IIb), III (sirtuins) and IV. Understanding the structure and function of HDACs is essential for developing inhibitors as potential therapeutic agents for various diseases, including cancer and neurodegenerative disorders. This review discusses the structural characteristics of the HDAC family and highlights the application of combined computational techniques, such as molecular modeling, docking studies, and molecular dynamics simulations, to elucidate HDAC mechanisms and facilitate drug discovery.