Browsing Araştırma Çıktıları / PubMed by Subject "ADMET analysis"
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Exploration of the binding pocket of histone deacetylases: the design of potent and isoform-selective inhibitors Authors:
Publisher and Date:(Tübitak, 2017)Histone deacetylases (HDACs) are enzymes that act on histone proteins to remove the acetyl group and thereby regulate the chromatin state. HDACs act not only on histone protein but also nonhistone proteins that are key players in cellular processes such as the cell cycle, signal transduction, apoptosis, and more. “Classical” HDACs have been shown to be promising targets for anticancer drug design and development. However, the selectivity of HDAC inhibitors for HDAC isoforms remains the motivation ...
Identification of potential isoform-selective histone deacetylase inhibitors for cancer therapy: a combined approach of structure-based virtual screening ADMET prediction and molecular dynamics simulation assay Authors:
Publisher and Date:(Taylor & Francis Inc, 2018)Histone deacetylases (HDACs) have gained increased attention as targets for anticancer drug design and development. HDAC inhibitors have proven to be effective for reversing the malignant phenotype in HDAC-dependent cancer cases. However lack of selectivity of the many HDAC inhibitors in clinical use and trials contributes to toxicities to healthy cells. It is believed that the continued identification of isoform-selective inhibitors will eliminate these undesirable adverse effects - a task that ...