AIMC Topic: Histone Deacetylase Inhibitors

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First report on analysis of chemical space, scaffold diversity, critical structural features of HDAC11 inhibitors.

Molecular diversity Aug 1, 2025
In the histone deacetylase (HDAC) family, HDAC11 is the smallest and a single member under the class IV subtype. It is important as a drug target mainly in cancer, inflammatory and autoimmune diseases. The design and development of selective HDAC11 i...
Humans Molecular Docking Simulation Drug Design Molecular Structure Molecular Dynamics Simulation Ligands Quantitative Structure-Activity Relationship Histone Deacetylase Inhibitors Histone Deacetylases
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PTML Modeling for Alzheimer's Disease: Design and Prediction of Virtual Multi-Target Inhibitors of GSK3B, HDAC1, and HDAC6.

Current topics in medicinal chemistry Jan 1, 2020
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...
Humans Neural Networks, Computer Machine Learning Drug Design Models, Molecular Molecular Structure Alzheimer Disease Protein Kinase Inhibitors Glycogen Synthase Kinase 3 beta Histone Deacetylase Inhibitors Histone Deacetylase 1 Histone Deacetylase 6
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A lazy learning-based QSAR classification study for screening potential histone deacetylase 8 (HDAC8) inhibitors.

SAR and QSAR in environmental research Jan 1, 2015
Histone deacetylases 8 (HDAC8) is an enzyme repressing the transcription of various genes including tumour suppressor gene and has already become a target of human cancer treatment. In an effort to facilitate the discovery of HDAC8 inhibitors, two qu...
Machine Learning Drug Discovery Principal Component Analysis Models, Chemical Molecular Dynamics Simulation Databases, Chemical Quantitative Structure-Activity Relationship Histone Deacetylase Inhibitors Histone Deacetylases
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