Power of inhibition activity screening and 3D molecular modeling approaches in HDAC 8 inhibitor design

Yelekçi, KemalTatar, Gamze BoraTokluman, Tenzile DenizYelekçi, KemalYurter, Hayat2019-06-272019-06-27201151300-05271300-0527https://hdl.handle.net/20.500.12469/1023https://doi.org/10.3906/kim-1107-34https://search.trdizin.gov.tr/yayin/detay/121953In-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.eninfo:eu-repo/semantics/openAccessCarboxylic acidsHDAC 8 inhibitorActivity screening3D molecular modelingPower of inhibition activity screening and 3D molecular modeling approaches in HDAC 8 inhibitor designArticle861870635WOS:00029901300000410.3906/kim-1107-342-s2.0-81255177496Q4N/A121953