In the quest for histone deacetylase inhibitors: Current trends in the application of multilayered computational methods

AI Uba, G Zengin - Amino Acids, 2023 - Springer
Histone deacetylase (HDAC) inhibitors have gained attention over the past three decades
because of their potential in the treatment of different diseases including various forms of …

Histone deacetylase 10, a potential epigenetic target for therapy

F Cheng, B Zheng, J Wang, G Zhao, Z Yao… - Bioscience …, 2021 - portlandpress.com
Abstract Histone deacetylase (HDAC) 10, a class II family, has been implicated in various
tumors and non-tumor diseases, which makes the discovery of biological functions and …

[HTML][HTML] The HDAC10 instructs macrophage M2 program via deacetylation of STAT3 and promotes allergic airway inflammation

Y Zhong, T Huang, J Huang, J Quan, G Su, Z Xiong… - Theranostics, 2023 - ncbi.nlm.nih.gov
Background: Perturbation of macrophage homeostasis is one of the key mechanisms of
airway inflammation in asthma. However, the exact mechanisms remain poorly understood …

[HTML][HTML] Characterization of the binding interaction between atrazine and human serum albumin: Fluorescence spectroscopy, molecular dynamics and quantum …

VLB França, JL Amaral, YA Martins… - Chemico-Biological …, 2022 - Elsevier
Atrazine (ATR), one of the most used herbicides worldwide, causes persistent contamination
of water and soil due to its high resistance to degradation. ATR is associated with low fertility …

First fluorescent acetylspermidine deacetylation assay for HDAC10 identifies selective inhibitors with cellular target engagement

D Herp, J Ridinger, D Robaa, SA Shinsky… - …, 2022 - Wiley Online Library
Histone deacetylases (HDACs) are important epigenetic regulators involved in many
diseases, especially cancer. Five HDAC inhibitors have been approved for anticancer …

Distribution and diversity of classical deacylases in bacteria

LG Graf, C Moreno-Yruela, C Qin, S Schulze… - Nature …, 2024 - nature.com
Abstract Classical Zn2+-dependent deac (et) ylases play fundamental regulatory roles in life
and are well characterized in eukaryotes regarding their structures, substrates and …

Exploring structural requirements of HDAC10 inhibitors through comparative machine learning approaches

A Bhattacharya, SA Amin, P Kumar, T Jha… - Journal of Molecular …, 2023 - Elsevier
Histone deacetylase (HDAC) inhibitors are in the limelight of anticancer drug development
and research. HDAC10 is one of the class-IIb HDACs, responsible for cancer progression …

Phenolic compounds as potential adenosine deaminase inhibitors: molecular docking and dynamics simulation coupled with MM-GBSA calculations

AI Uba, NJ Paradis, C Wu, G Zengin - Amino Acids, 2023 - Springer
Adenosine deaminase (ADA) is a Zn2+-containing enzyme that catalyzes the irreversible
deamination of adenosine to inosine or deoxyadenosine to deoxyinosine. In addition to this …

Identification of potential inhibitors of human methionine aminopeptidase (type II) for cancer therapy: Structure-based virtual screening, ADMET prediction and …

J Weako, AI Uba, Ö Keskin, A Gürsoy… - Computational Biology and …, 2020 - Elsevier
Abstract Methionine Aminopeptidases MetAPs are divalent-cofactor dependent enzymes
that are responsible for the cleavage of the initiator Methionine from the nascent …

Homology modeling and in silico design of novel and potential dual-acting inhibitors of human histone deacetylases HDAC5 and HDAC9 isozymes

AD Elmezayen, K Yelekçi - Journal of Biomolecular Structure and …, 2021 - Taylor & Francis
Histone deacetylases (HDACs) are a group of enzymes that have prominent and crucial
effect on various biological systems, mainly by their suppressive effect on transcription …