Power of inhibition activity screening and 3D molecular modeling approaches in HDAC 8 inhibitor design
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Date
2011
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
Scientific Technical Research Council Turkey-Tubitak
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.
Description
Keywords
Carboxylic acids, HDAC 8 inhibitor, Activity screening, 3D molecular modeling
Turkish CoHE Thesis Center URL
Citation
5
WoS Q
Q4
Scopus Q
N/A
Source
Volume
35
Issue
6
Start Page
861
End Page
870