The Chemical Tuning of a Weak Zinc Binding Motif for Histone Deacetylase Using Electronic Effects

Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors

(2011) Lewis Whitehead et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Optimization of the in Vitro Cardiac Safety of Hydroxamate-Based Histone Deacetylase Inhibitors

(2011) Michael D. Shultz et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structures of Metal-Substituted Human Histone Deacetylase 8 Provide Mechanistic Inferences on Biological Function,

(2010) Daniel P. Dowling et al.   BIOCHEMISTRY

Exploration of the HDAC2 foot pocket: Synthesis and SAR of substituted N-(2-aminophenyl)benzamides

(2010) Jerome C. Bressi et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Inside HDAC with HDAC inhibitors

(2010) Philippe Bertrand   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Structural Survey of Zinc-Containing Proteins and Development of the Zinc AMBER Force Field (ZAFF)

(2010) Martin B. Peters et al.   Journal of Chemical Theory and Computation

Significant van der Waals Effects in Transition Metal Complexes

(2010) Per E. M. Siegbahn et al.   Journal of Chemical Theory and Computation

A Transferable Nonbonded Pairwise Force Field to Model Zinc Interactions in Metalloproteins

(2010) Ruibo Wu et al.   Journal of Chemical Theory and Computation

QM/MM X-ray refinement of zinc metalloenzymes

(2010) Xue Li et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Conformational Refinement of Hydroxamate-Based Histone Deacetylase Inhibitors and Exploration of 3-Piperidin-3-ylindole Analogues of Dacinostat (LAQ824)

(2010) Young Shin Cho et al.   JOURNAL OF MEDICINAL CHEMISTRY

Histone deacetylase inhibitors: Keeping momentum for neuromuscular and cardiovascular diseases treatment

(2010) Claudia Colussi et al.   PHARMACOLOGICAL RESEARCH

Computational Studies on the Histone Deacetylases and the Design of Selective Histone Deacetylase Inhibitors

(2009) Difei Wang   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Recent developments of the quantum chemical cluster approach for modeling enzyme reactions

(2009) Per E. M. Siegbahn et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

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

Flexibility of Catalytic Zinc Coordination in Thermolysin and HDAC8: A Born−Oppenheimer ab Initio QM/MM Molecular Dynamics Study

(2009) Ruibo Wu et al.   Journal of Chemical Theory and Computation

Synthesis, structural study and topological analysis of Zn/Aib and Aib-based small peptide complexes (H-Aib-OH=α-aminoisobutyric acid)

(2009) Eugenia Katsoulakou et al.   POLYHEDRON

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

Epigenetic targets of HDAC inhibition in neurodegenerative and psychiatric disorders

(2008) T ABEL et al.   CURRENT OPINION IN PHARMACOLOGY

Structural Origin of Selectivity in Class II-Selective Histone Deacetylase Inhibitors

(2008) Guillermina Estiu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Histone Deacetylase Inhibitors: From Bench to Clinic

(2008) Marielle Paris et al.   JOURNAL OF MEDICINAL CHEMISTRY

Chemical probes for histone-modifying enzymes

(2008) Philip A Cole   Nature Chemical Biology

Comparative molecular dynamics simulations of histone deacetylase-like protein: Binding modes and free energy analysis to hydroxamic acid inhibitors

(2008) Chunli Yan et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Zn Coordination Chemistry:  Development of Benchmark Suites for Geometries, Dipole Moments, and Bond Dissociation Energies and Their Use To Test and Validate Density Functionals and Molecular Orbital Theory

(2007) Elizabeth A. Amin et al.   Journal of Chemical Theory and Computation