AIMC Topic: Histone Deacetylase 1

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Mapping Context-Aware Phosphosite Regulation of Protein-Protein Interactions Using Deep Learning and Pan-Cancer Proteomics.

Journal of chemical information and modeling
Phosphorylation dynamically orchestrates the protein-protein interaction (PPI) network that governs cellular signaling, and its dysregulation frequently drives malignant transformation and neurodegeneration. We present PhosPPI-SEQ, an interpretable d...

Kolmogorov-Arnold networks for predicting drug-gene associations of HDAC1 inhibitors in periodontitis.

Computational biology and chemistry
Periodontal disease, or periodontitis, is a chronic inflammatory condition affecting the tissues supporting teeth, with epigenetic mechanisms such as DNA methylation, histone modifications, and RNA molecules playing a crucial role in its progression....

Classification models and SAR analysis on HDAC1 inhibitors using machine learning methods.

Molecular diversity
Histone deacetylase (HDAC) 1, a member of the histone deacetylases family, plays a pivotal role in various tumors. In this study, we collected 7313 human HDAC1 inhibitors with bioactivities to form a dataset. Then, the dataset was divided into a trai...

PTML Modeling for Alzheimer's Disease: Design and Prediction of Virtual Multi-Target Inhibitors of GSK3B, HDAC1, and HDAC6.

Current topics in medicinal chemistry
BACKGROUND: Alzheimer's disease is characterized by a progressive pattern of cognitive and functional impairment, which ultimately leads to death. Computational approaches have played an important role in the context of drug discovery for anti-Alzhei...