Imidazolinium chloride salts bearing wingtip groups: Synthesis, molecular docking and metabolic enzymes inhibition

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dc.authoridKaraman, Muhammet/0000-0002-0155-3390
dc.authoridÖzdemir, İsmail/0000-0001-6325-0216
dc.authoridsağlamtaş, rüya/0000-0002-4400-2302
dc.authoridGulcin, ilhami/0000-0001-5993-1668
dc.authoridTaslimi, Parham/0000-0002-3171-0633
dc.authorwosidKaraman, Muhammet/AAG-4541-2019
dc.authorwosidTaslimi, Parham/AAL-2788-2020
dc.authorwosidÖzdemir, İsmail/ABI-5192-2020
dc.authorwosidsağlamtaş, rüya/ABC-8186-2021
dc.authorwosidkaya, rüya/AAB-2401-2021
dc.authorwosidGulcin, ilhami/F-1428-2014
dc.contributor.authorYigit, Beyhan
dc.contributor.authorKaya, Ruya
dc.contributor.authorTaslimi, Parham
dc.contributor.authorIsik, Yilmaz
dc.contributor.authorKaraman, Muhammet
dc.contributor.authorYigit, Murat
dc.contributor.authorOzdemir, Ismail
dc.date.accessioned2024-08-04T20:45:37Z
dc.date.available2024-08-04T20:45:37Z
dc.date.issued2019
dc.departmentİnönü Üniversitesien_US
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.description.sponsorshipAdiyaman University Research Fund [FEFYL/2017-0004]en_US
dc.description.sponsorshipWe thank the Adiyaman University Research Fund (FEFYL/2017-0004) for financial support of this work. The authors are grateful to Dr. Halide Sedef Karaman for giving her technical guidance while processing docking study of this article and for supporting small drug discovery suite software.en_US
dc.identifier.doi10.1016/j.molstruc.2018.11.038
dc.identifier.endpage718en_US
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85059235844en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage709en_US
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2018.11.038
dc.identifier.urihttps://hdl.handle.net/11616/98590
dc.identifier.volume1179en_US
dc.identifier.wosWOS:000456491500078en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevier Science Bven_US
dc.relation.ispartofJournal of Molecular Structureen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_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

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