Functionalized imidazolium and benzimidazolium salts as paraoxonase 1 inhibitors synthesis characterization and molecular docking studies

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dc.authoridTR120424en_US
dc.authoridTR38542en_US
dc.authoridTR6993en_US
dc.authoridTR120204en_US
dc.authoridTR29091en_US
dc.authoridTR5067en_US
dc.authoridTR48986en_US
dc.authoridTR35762en_US
dc.contributor.authorKarataş, Mert Olgun
dc.contributor.authorUslu, Harun
dc.contributor.authorAlıcı, Bülent
dc.contributor.authorGökçe, Başak
dc.contributor.authorGençer, Nahit
dc.contributor.authorArslan, Oktay
dc.contributor.authorArslan, Nahide Burcu
dc.contributor.authorÖzdemir, Namık
dc.date.accessioned2017-04-12T07:53:06Z
dc.date.available2017-04-12T07:53:06Z
dc.date.issued2016
dc.departmentİnönü Üniversitesien_US
dc.description.abstractParaoxonase (PON) is a key enzyme in metabolism of living organisms and decreased activity of PON1 was acknowledged as a risk for atherosclerosis and organophosphate toxicity. The present study describes the synthesis, characterization, PON1 inhibitory properties and molecular docking studies of functionalized imidazolium and benzimidazolium salts (1a–5g). The structures of all compounds were elucidated by IR, NMR, elemental analysis and structures of compounds 2b and 2c were characterized by single-crystal X-ray diffraction. Compound 1c, a coumarin substituted imidazolium salt showed the best inhibitory effect on the activity of PON1 with good IC50 value (6.37 lM). Kinetic investigation was evaluated for this compound and results showed that this compound is competitive inhibitor of PON1 with Ki value of 2.39 lM. Molecular docking studies were also performed for most active compound 1c and one of least active compound 2c in order to determine the probable binding model into active site of PON1 and validation of the experimental results.en_US
dc.identifier.citationKarataş, M. O. Uslu, H. Alıcı, B. Gökçe, B. Gençer, N. Arslan, O. Arslan, N. B. Özdemir, N. (2016). Functionalized imidazolium and benzimidazolium salts as paraoxonase 1 inhibitors Synthesis characterization and molecular docking studies. Bioorganic & Medicinal Chemistry, 24(6), 1392–1401.en_US
dc.identifier.doi10.1016/j.bmc.2016.02.012en_US
dc.identifier.endpage1401en_US
dc.identifier.issn09680896
dc.identifier.issue6en_US
dc.identifier.startpage1392en_US
dc.identifier.urihttp://linkinghub.elsevier.com/retrieve/pii/S0968089616300931
dc.identifier.urihttps://hdl.handle.net/11616/6645
dc.identifier.volume24en_US
dc.language.isoenen_US
dc.publisherBioorganic & Medicinal Chemistryen_US
dc.relation.ispartofBioorganic & Medicinal Chemistryen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectBenzimidazoliumen_US
dc.subjectCoumarinen_US
dc.subjectImidazoliumen_US
dc.subjectInhibitionen_US
dc.subjectMolecular dockingen_US
dc.subjectParaoxonase 1en_US
dc.titleFunctionalized imidazolium and benzimidazolium salts as paraoxonase 1 inhibitors synthesis characterization and molecular docking studiesen_US
dc.typeArticleen_US

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