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

dc.contributor.authorYelekçi, Kemal
dc.contributor.authorTokluman, Tenzile Deniz
dc.contributor.authorYelekçi, Kemal
dc.contributor.authorYurter, Hayat
dc.date.accessioned2019-06-27T08:05:03Z
dc.date.available2019-06-27T08:05:03Z
dc.date.issued2011
dc.departmentFakülteler, Mühendislik ve Doğa Bilimleri Fakültesi, Biyoinformatik ve Genetik Bölümüen_US
dc.description.abstractIn-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.en_US]
dc.identifier.citation5
dc.identifier.doi10.3906/kim-1107-34en_US
dc.identifier.endpage870
dc.identifier.issn1300-0527en_US
dc.identifier.issn1300-0527
dc.identifier.issue6
dc.identifier.scopus2-s2.0-81255177496en_US
dc.identifier.scopusqualityN/A
dc.identifier.startpage861en_US
dc.identifier.trdizinid121953en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12469/1023
dc.identifier.urihttps://doi.org/10.3906/kim-1107-34
dc.identifier.urihttps://search.trdizin.gov.tr/yayin/detay/121953
dc.identifier.volume35en_US
dc.identifier.wosWOS:000299013000004en_US
dc.identifier.wosqualityQ4
dc.institutionauthorYelekçi, Kemalen_US
dc.language.isoenen_US
dc.publisherScientific Technical Research Council Turkey-Tubitaken_US
dc.relation.journalTurk J Chemen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectCarboxylic acidsen_US
dc.subjectHDAC 8 inhibitoren_US
dc.subjectActivity screeningen_US
dc.subject3D molecular modelingen_US
dc.titlePower of inhibition activity screening and 3D molecular modeling approaches in HDAC 8 inhibitor designen_US
dc.typeArticleen_US
dspace.entity.typePublication
relation.isAuthorOfPublication9407938e-3d31-453b-9199-aaa8280a66c5
relation.isAuthorOfPublication.latestForDiscovery9407938e-3d31-453b-9199-aaa8280a66c5

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