An insight into selective and potent inhibition of histone deacetylase 8 through induced-fit docking, pharmacophore modeling and QSAR studies
Author:
Affiliation:
1. Computational Chemistry Laboratory, Department of Chemistry, University of Delhi, Delhi, India
Funder
University Grants Commission
Publisher
Informa UK Limited
Subject
Molecular Biology,General Medicine,Structural Biology
Link
https://www.tandfonline.com/doi/pdf/10.1080/07391102.2019.1567388
Reference62 articles.
1. Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations
2. In Silico study of the active site of Helicobacter pylori urease and its inhibition by hydroxamic acids
3. In silico studies on potential MCF-7 inhibitors: a combination of pharmacophore and 3D-QSAR modeling, virtual screening, molecular docking, and pharmacokinetic analysis
4. A novel histone deacetylase 8 (HDAC8)-specific inhibitor PCI-34051 induces apoptosis in T-cell lymphomas
5. Molecular descriptors for polarity: the need for going beyond polar surface area
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