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Pharmaceuticals
Special Issues
Selective Histone Deacetylase Isoforms as Potential Therapeutic Targets
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Selective Histone Deacetylase Isoforms as Potential Therapeutic Targets

A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: 20 October 2024 | Viewed by 1128

Special Issue Editor

Prof. Dr. Anna Artese

E-Mail Website
Guest Editor
Dipartimento di Scienze della Salute, Università “Magna Graecia” di Catanzaro, Campus “Salvatore Venuta”, Viale Europa, 88100 Catanzaro, Italy
Interests: drug design; molecular modeling; molecular dynamics; virtual screening; pharmacophore modeling; drug repurposing; natural products
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Due to the crucial role of histone deacetylases (HDACs) in regulating fundamental cellular processes, this thematic issue aims to highlight important advances in the field of HDACs, including their inhibitors and activators and their pharmacological applications in cancer, neurodegenerative and inflammatory diseases.

The sub-topics to be covered within the issue will be:

  • HDAC inhibitors as anti-inflammatory agents with a novel mechanism of action;
  • HDAC inhibitors targeting the tumor microenvironment: new perspectives;
  • HDAC inhibitor applications in neurodegenerative and psychiatric disorders;
  • HDAC inhibitors as novel antidiabetic agents;
  • HDAC activators and inflammation.

Prof. Dr. Anna Artese
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Pharmaceuticals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2900 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Published Papers (1 paper)

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Review

48 pages, 12475 KiB  
Review
The Histone Deacetylase Family: Structural Features and Application of Combined Computational Methods
by Antonio Curcio, Roberta Rocca, Stefano Alcaro and Anna Artese
Pharmaceuticals 2024, 17(5), 620; https://0-doi-org.brum.beds.ac.uk/10.3390/ph17050620 - 10 May 2024
Viewed by 803
Abstract
Histone deacetylases (HDACs) are crucial in gene transcription, removing acetyl groups from histones. They also influence the deacetylation of non-histone proteins, contributing to the regulation of various biological processes. Thus, HDACs play pivotal roles in various diseases, including cancer, neurodegenerative disorders, and inflammatory [...] Read more.
Histone deacetylases (HDACs) are crucial in gene transcription, removing acetyl groups from histones. They also influence the deacetylation of non-histone proteins, contributing to the regulation of various biological processes. Thus, HDACs play pivotal roles in various diseases, including cancer, neurodegenerative disorders, and inflammatory conditions, highlighting their potential as therapeutic targets. This paper reviews the structure and function of the four classes of human HDACs. While four HDAC inhibitors are currently available for treating hematological malignancies, numerous others are undergoing clinical trials. However, their non-selective toxicity necessitates ongoing research into safer and more efficient class-selective or isoform-selective inhibitors. Computational methods have aided the discovery of HDAC inhibitors with the desired potency and/or selectivity. These methods include ligand-based approaches, such as scaffold hopping, pharmacophore modeling, three-dimensional quantitative structure–activity relationships, and structure-based virtual screening (molecular docking). Moreover, recent developments in the field of molecular dynamics simulations, combined with Poisson–Boltzmann/molecular mechanics generalized Born surface area techniques, have improved the prediction of ligand binding affinity. In this review, we delve into the ways in which these methods have contributed to designing and identifying HDAC inhibitors. Full article
(This article belongs to the Special Issue Selective Histone Deacetylase Isoforms as Potential Therapeutic Targets)
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