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dc.contributor.authorYiğit, Beyhan
dc.contributor.authorKaya, Ruya
dc.contributor.authorTaslimi, Parham
dc.contributor.authorIşık, Yılmaz
dc.contributor.authorKaraman, Muhammet
dc.contributor.authorYiğit, Murat
dc.contributor.authorÖzdemir, İsmail
dc.contributor.authorGulçin, İlhami
dc.date.accessioned2019-04-29T08:05:59Z
dc.date.available2019-04-29T08:05:59Z
dc.date.issued2019-03-05
dc.identifier.urihttp://hdl.handle.net/11772/1125
dc.description.abstractA series of symmetrical imidazolinium chloride salts bearing secondary N-alkyl substituents were synthesized in good yield by the reaction of N,N'-dialkylethane-1,2-diamines and HC(OEt)(3) in the presence of NH4Cl. These salts were characterized by spectroscopic methods. All compounds were tested as enzyme inhibitory agents. These novel symmetrical imidazolinium chloride salts derivatives (3a-h) effectively inhibited the cytosolic hCA I and hCA II, BChE, alpha-glycosidase and AChE with K-i values in the range of 18.41-121.73 nM for hCA I, 12.50-63.12 nM for hCA II, 3.72-34.58 nM for AChE, 5.50-32.36 nM for BChE, and 94.72-364.51 nM for alpha-glycosidase, respectively. CA isoenzymes play a crucial roles including acid-base balance homeostasis by excreting and secreting protons (H+) due to the CO2 hydration, HCO3- reabsorption mechanisms, and renal NH4+ output. Also, the molecular modeling is an implementation for estimation of the binding proximity of symmetrical imidazolinium chloride salts bearing secondary wingtip groups and their inhibition mechanisms and kinetics in atomic levels at the catalytic domains. (C) 2018 Elsevier B.V. All rights reserved.en_US
dc.language.isoengen_US
dc.publisherJournal Of Molecular Structureen_US
dc.relation.isversionof10.1016/j.molstruc.2018.11.038en_US
dc.rightsinfo:eu-repo/semantics/restrictedAccessen_US
dc.subjectCarbonic anhydraseen_US
dc.subjectButyrylcholinesteraseen_US
dc.subjectAcetylcholinesteraseen_US
dc.subjectalpha-Glycosidaseen_US
dc.subjectMolecular modelingen_US
dc.titleImidazolinium chloride salts bearing wingtip groups: Synthesis, molecular docking and metabolic enzymes inhibitionen_US
dc.typearticleen_US
dc.relation.journalJournal Of Molecular Structureen_US
dc.contributor.departmentBartın Üniversitesi, Fen Fakültesi, Biyoteknoloji Bölümüen_US
dc.identifier.volume1179en_US
dc.identifier.startpage709en_US
dc.identifier.endpage718en_US


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