Molecular modifications on carboxylic acid derivatives as potent histone deacetylase inhibitors: Activity and docking studies.

Bora-Tatar G. , Dayangac-Erden D. , DEMİR A. G. , DALKARA S. , Yelekci K., Erdem-Yurter H.

Bioorganic & medicinal chemistry, cilt.17, sa.14, ss.5219-28, 2009 (SCI Expanded İndekslerine Giren Dergi) identifier identifier identifier

  • Cilt numarası: 17 Konu: 14
  • Basım Tarihi: 2009
  • Doi Numarası: 10.1016/j.bmc.2009.05.042
  • Dergi Adı: Bioorganic & medicinal chemistry
  • Sayfa Sayıları: ss.5219-28


In the light of known HDAC inhibitors, 33 carboxylic acid derivatives were tested to understand the structural requirements for HDAC inhibition activity. Several modifications were applied to develop the structure-activity relationships of carboxylic acid HDAC inhibitors. HDAC inhibition activities were investigated in vitro by using HeLa nuclear extract in a fluorimetric assay. Molecular docking was also carried out for the human HDAC8 enzyme in order to predict inhibition activity and the 3D poses of inhibitor-enzyme complexes. Of these compounds, caffeic acid derivatives such as chlorogenic acid and curcumin were found to be highly potent compared to sodium butyrate, which is a well-known HDAC inhibitor. (C) 2009 Elsevier Ltd. All rights reserved.