Hydroxamic Acid Derivatives of Mycophenolic Acid Inhibit Histone Deacetylase at the Cellular Level

2008 ◽  
Vol 72 (10) ◽  
pp. 2623-2631 ◽  
Author(s):  
Daniela I. BATOVSKA ◽  
Dong Hoon KIM ◽  
Shinya MITSUHASHI ◽  
Yoon Sun CHO ◽  
Ho Jeong KWON ◽  
...  
Keyword(s):  
Histone Deacetylase ◽  
Mycophenolic Acid ◽  
Hydroxamic Acid ◽  
Cellular Level ◽  
Derivatives Of ◽  
Hydroxamic Acid Derivatives

ChemInform Abstract: New Hydroxamic Acid Derivatives of Fluoroquinolones: Synthesis and Evaluation of Antibacterial and Anticancer Properties.

ChemInform ◽  
2014 ◽  
Vol 45 (27) ◽  
pp. no-no
Author(s):  
Gavara Govinda Rajulu ◽  
Halehatty Seephya Bhojya Naik ◽  
Abhilash Viswanadhan ◽  
Jayaraman Thiruvengadam ◽  
Kondodiyil Rajesh ◽  
...  
Keyword(s):  
Hydroxamic Acid ◽  
Anticancer Properties ◽  
Derivatives Of ◽  
Hydroxamic Acid Derivatives

scholarly journals New Hydroxamic Acid Derivatives of Fluoroquinolones: Synthesis and Evaluation of Antibacterial and Anticancer Properties

2014 ◽  
Vol 62 (2) ◽  
pp. 168-175 ◽  
Author(s):  
Gavara Govinda Rajulu ◽  
Halehatty Seephya Bhojya Naik ◽  
Abhilash Viswanadhan ◽  
Jayaraman Thiruvengadam ◽  
Kondodiyil Rajesh ◽  
...  
Keyword(s):  
Hydroxamic Acid ◽  
Anticancer Properties ◽  
Derivatives Of ◽  
Hydroxamic Acid Derivatives

scholarly journals Structure-Based Design of Tetrahydroisoquinoline-Based Hydroxamic Acid Derivatives Inhibiting Human Histone Deacetylase 8

2021 ◽  
Vol 5 (1) ◽  
pp. 504-538
Author(s):  
Eugene Megnassan ◽  
◽  
Issouf Fofana ◽  
Brice Dali ◽  
Frederica Mansilla Koblavi ◽  
...  
Keyword(s):  
Histone Deacetylase ◽  
Active Site ◽  
Hydroxamic Acid ◽  
Combinatorial Library ◽  
Structural Information ◽  
Qsar Model ◽  
Interaction Energies ◽  
Histone Deacetylase 8 ◽  
Hdac8 Inhibitors ◽  
Hydroxamic Acid Derivatives

We have designed new human histone deacetylase 8 (HDAC8) inhibitors using structure-based molecular design. 3D models of HDAC8–inhibitor complexes were prepared by in situ modification of the crystal structure of HDAC8 co-crystallized with the hydroxamic acid suberoylanilide (SAHA) and a training set (TS) of tetrahydroisoquinoline-based hydroxamic acid derivatives (DAHTs) with known inhibitory potencies. A QSAR model was elaborated for the TS yielding a linear correlation between the computed Gibbs free energies (GFE) of HDAC8–DAHTs complexation (∆∆Gcom) and observed half-maximal enzyme inhibitory concentrations (IC50exp). From this QSAR model a 3D-QSAR pharmacophore (PH4) was generated. Structural information derived from the 3D model and breakdown of computed HDAC8–DAHTs interaction energies up to individual active site residue contributions helped us to design new more potent HDAC8 inhibitors. We obtained a reasonable agreement ∆∆Gcom and values: (pIC50exp = – 0.0376 × ∆∆Gcom + 7.4605, R2 = 0.89). Similar agreement was established for the PH4 model (pIC50exp = 0.8769 × + 0.7854, R2 = 0.87). A comparative analysis of the contributions of active site residues guided the choice of fragments used in designing a virtual combinatorial library (VCL) of DAHT analogs. The VCL of more than 17 thousand DAHTs was screened by the PH4 and furnished 229 new DAHTs. The best-designed analog displayed predicted inhibitory potency up to 110 times higher than that of DAHT1 (IC50exp = 0.047 µM). Predicted pharmacokinetic profiles of the new analogs were compared to current per oral anticancer compounds. This computational approach, which combines molecular modelling, pharmacophore generation, analysis of HDAC8–DAHTs interaction energies and virtual screening of a combinatorial library of DAHTs resulted in a set of proposed new HDAC8 inhibitors. It can thus direct medicinal chemists in their search for new anticancer agents.

Design, synthesis, and evaluation of cyclic amide/imide-bearing hydroxamic acid derivatives as class-selective histone deacetylase (HDAC) inhibitors

2006 ◽  
Vol 14 (22) ◽  
pp. 7625-7651 ◽  
Author(s):  
Chihiro Shinji ◽  
Satoko Maeda ◽  
Keisuke Imai ◽  
Minoru Yoshida ◽  
Yuichi Hashimoto ◽  
...  
Keyword(s):  
Histone Deacetylase ◽  
Hydroxamic Acid ◽  
Hdac Inhibitors ◽  
Design Synthesis ◽  
Cyclic Amide ◽  
Hydroxamic Acid Derivatives

New insights into the metal ion–peptide hydroxamate interactions: Metal complexes of primary hydroxamic acid derivatives of common dipeptides in aqueous solution

Polyhedron ◽  
2007 ◽  
Vol 26 (8) ◽  
pp. 1625-1633 ◽  
Author(s):  
Péter Buglyó ◽  
Eszter Márta Nagy ◽  
Etelka Farkas ◽  
Imre Sóvágó ◽  
Daniele Sanna ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Metal Complexes ◽  
Metal Ion ◽  
Hydroxamic Acid ◽  
Derivatives Of ◽  
Hydroxamic Acid Derivatives

Inhibition of Urease Activity by Hydroxamic Acid Derivatives of Amino Acids

1975 ◽  
Vol 77 (4) ◽  
pp. 837-843 ◽  
Author(s):  
Kyoichi KOBASHI ◽  
Sachiko TAKEBE ◽  
Nobuo TERASHIMA ◽  
Jun'ichi HASE
Keyword(s):  
Amino Acids ◽  
Hydroxamic Acid ◽  
Urease Activity ◽  
Derivatives Of ◽  
Hydroxamic Acid Derivatives
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