Insights from comprehensive multiple receptor docking to HDAC8

Design, Synthesis, Docking, and Biological Evaluation of Novel Diazide-Containing Isoxazole- and Pyrazole-Based Histone Deacetylase Probes

(2011) Raghupathi Neelarapu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Zinc Chelation with Hydroxamate in Histone Deacetylases Modulated by Water Access to the Linker Binding Channel

(2011) Ruibo Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

On the inhibition of histone deacetylase 8

(2010) Guillermina Estiu et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Synthesis ofN-Hydroxycinnamides Capped with a Naturally Occurring Moiety as Inhibitors of Histone Deacetylase

(2010) Wei-Jan Huang et al.   ChemMedChem

Investigation on the isoform selectivity of histone deacetylase inhibitors using chemical feature based pharmacophore and docking approaches

(2010) Yong Zhu et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Novel Inhibitors of Human Histone Deacetylase (HDAC) Identified by QSAR Modeling of Known Inhibitors, Virtual Screening, and Experimental Validation

(2009) Hao Tang et al.   Journal of Chemical Information and Modeling

Docking of Hydroxamic Acids into HDAC1 and HDAC8: A Rationalization of Activity Trends and Selectivities

(2009) Gabriella Ortore et al.   Journal of Chemical Information and Modeling

Recipes for the Selection of Experimental Protein Conformations for Virtual Screening

(2009) Manuel Rueda et al.   Journal of Chemical Information and Modeling

Binding Ensemble Profiling with Photoaffinity Labeling (BEProFL) Approach: Mapping the Binding Poses of HDAC8 Inhibitors

(2009) Bai He et al.   JOURNAL OF MEDICINAL CHEMISTRY

Synthesis, Biological Evaluation, and Molecular Docking of Ugi Products Containing a Zinc-Chelating Moiety as Novel Inhibitors of Histone Deacetylases

(2009) Ambra A. Grolla et al.   JOURNAL OF MEDICINAL CHEMISTRY

Induced-fit docking studies of the active and inactive states of protein tyrosine kinases

(2009) Haizhen Zhong et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Parameterization of aromatic azido groups: application as photoaffinity probes in molecular dynamics studies

(2009) Gilles Pieffet et al.   JOURNAL OF MOLECULAR MODELING

Synthesis, molecular docking and biological evaluation as HDAC inhibitors of cyclopeptide mimetics by a tandem three-component reaction and intramolecular [3+2] cycloaddition

(2009) Tracey Pirali et al.   MOLECULAR DIVERSITY

Determination of the class and isoform selectivity of small-molecule histone deacetylase inhibitors

(2008) Nagma Khan et al.   BIOCHEMICAL JOURNAL

Structural Studies of Human Histone Deacetylase 8 and Its Site-Specific Variants Complexed with Substrate and Inhibitors†,‡

(2008) Daniel P. Dowling et al.   BIOCHEMISTRY

Molecular modeling studies toward the structural optimization of new cyclopeptide-based HDAC inhibitors modeled on the natural product FR235222

(2008) Simone Di Micco et al.   BIOORGANIC & MEDICINAL CHEMISTRY

New pyrrole-based histone deacetylase inhibitors: Binding mode, enzyme- and cell-based investigations

(2008) Antonello Mai et al.   INTERNATIONAL JOURNAL OF BIOCHEMISTRY & CELL BIOLOGY

Exploiting Ordered Waters in Molecular Docking

(2008) Niu Huang et al.   JOURNAL OF MEDICINAL CHEMISTRY

The Protein Data Bank (PDB), Its Related Services and Software Tools as Key Components for In Silico Guided Drug Discovery

(2008) Johannes Kirchmair et al.   JOURNAL OF MEDICINAL CHEMISTRY

Class II-selective histone deacetylase inhibitors. Part 2: Alignment-independent GRIND 3-D QSAR, homology and docking studies

(2007) Rino Ragno et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Identification of ligand features essential for HDACs inhibitors by pharmacophore modeling

(2007) Ya-dong Chen et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING