Show simple item record

dc.contributor.authorKaraman Mayack, Berin
dc.contributor.authorAlayoubi, Muhammed Moyasar
dc.date.accessioned2023-10-10T12:17:01Z
dc.date.available2023-10-10T12:17:01Z
dc.date.issued2023
dc.identifier.citationKaraman Mayack B., Alayoubi M. M., "Pharmacophore-based Virtual Screening: Identification of Selective Sirtuin 2 Inhibitors", Journal of Research in Pharmacy, cilt.27, sa.4, ss.1366-1379, 2023
dc.identifier.issn2630-6344
dc.identifier.otherav_1da88af2-8cfe-4424-9c5c-844aaed5a38d
dc.identifier.othervv_1032021
dc.identifier.urihttp://hdl.handle.net/20.500.12627/190013
dc.identifier.urihttps://avesis.istanbul.edu.tr/api/publication/1da88af2-8cfe-4424-9c5c-844aaed5a38d/file
dc.identifier.urihttps://doi.org/10.29228/jrp.424
dc.description.abstractThe Class III histone deacetylases protein Sirt2 has been implicated in the pathogenesis of several age-related diseases such as inflammation, cancer, and type II diabetes and is considered an attractive novel therapeutic target. High-quality small-molecule inhibitors of Sirt2 are vital as chemical probes for target validation and potential starting points for new therapeutics. We applied an iterative virtual screening campaign including structure-based pharmacophore generation, ensemble docking, and protein-ligand interaction fingerprint analysis, to identify potential Sirt2 inhibitors from commercially available chemical libraries. Several hit molecules were determined to make exceptional interactions both with the catalytic (C) pocket and selective extended C pocket (EXC) pocket at the same time which indicated that these compounds represent promising lead structures for the development of selective and potent Sirt2 inhibitors.
dc.language.isoeng
dc.subjectSağlık Bilimleri
dc.subjectYaşam Bilimleri (LIFE)
dc.subjectFarmakoloji ve Toksikoloji
dc.subjectFARMAKOLOJİ VE ECZACILIK
dc.subjectFarmakoloji (tıbbi)
dc.subjectGenel Farmakoloji, Toksikoloji ve Eczacılık
dc.subjectYaşam Bilimleri
dc.subjectTemel Bilimler
dc.subjectEczacılık
dc.subjectTemel Eczacılık Bilimleri
dc.titlePharmacophore-based Virtual Screening: Identification of Selective Sirtuin 2 Inhibitors
dc.typeMakale
dc.relation.journalJournal of Research in Pharmacy
dc.contributor.departmentSabancı Üniversitesi , ,
dc.identifier.volume27
dc.identifier.issue4
dc.identifier.startpage1366
dc.identifier.endpage1379
dc.contributor.firstauthorID4457481


Files in this item

FilesSizeFormatView

There are no files associated with this item.

This item appears in the following Collection(s)

Show simple item record