TY  - JOUR
TI  - Power of inhibition activity screening and 3D molecular modeling approaches in HDAC 8 inhibitor design
AB  - In-vitro inhibition activity screening and in-silico 3D molecular modeling approaches are important tools for design and development of specific histone deacetylase (HDAC) inhibitors. The objective of this study was to investigate the consistency between these 2 approaches. The HDAC 8 inhibition activities of 8 randomly selected different carboxylic acid derivatives were screened and in-vitro experimental results were compared with in-silico molecular modeling calculations. This study demonstrated that there is no sole gold standard technique for inhibitor design, and it was concluded that a combination of molecular modeling and activity screening assays will ensure more comprehensive and dependable results.
AU  - TOKLUMAN, Tenzile Deniz
AU  - Erdem Yurter, Hayat
AU  - TATAR, Gamze Bora
AU  - Yelekci, Kemal
PY  - 2011
JO  - Turkish Journal of Chemistry
VL  - 35
IS  - 6
SN  - 1300-0527
SP  - 861
EP  - 870
DB  - TRDizin
UR  - http://search/yayin/detay/121953
ER  -