Turkish Journal of Chemistry
Abstract
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.
DOI
10.3906/kim-1107-34
Keywords
Carboxylic acids, HDAC 8 inhibitor, activity screening, 3D molecular modeling
First Page
861
Last Page
870
Recommended Citation
TATAR, G. B, TOKLUMAN, T. D, YELEKÇİ, K, & YURTER, H (2011). Power of inhibition activity screening and 3D molecular modeling approaches in HDAC 8 inhibitor design. Turkish Journal of Chemistry 35 (6): 861-870. https://doi.org/10.3906/kim-1107-34
