AIMC Topic: Histone Deacetylase 6

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A new computational cross-structure-activity relationship (C-SAR) approach applies to a selective HDAC6 inhibitor dataset for accelerated structure development.

Computers in biology and medicine Apr 30, 2025
Several structure-activity relationship (SAR) methodologies have been developed for the research community to improve the potential activity of prototype structures. To accomplish this, Topliss proposed the Topliss tree and the Topliss Batchwise sche...
Humans Molecular Docking Simulation Structure-Activity Relationship Histone Deacetylase Inhibitors Histone Deacetylase 6
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HT_PREDICT: a machine learning-based computational open-source tool for screening HDAC6 inhibitors.

SAR and QSAR in environmental research Jul 15, 2024
Histone deacetylase 6 (HDAC6) is a promising drug target for the treatment of human diseases such as cancer, neurodegenerative diseases (in particular, Alzheimer's disease), and multiple sclerosis. Considerable attention is paid to the development of...
Humans Neural Networks, Computer Machine Learning Support Vector Machine Drug Evaluation, Preclinical Quantitative Structure-Activity Relationship Histone Deacetylase Inhibitors Histone Deacetylase 6
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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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