Synthesis of 1,3-Disubtitituted Tetrahydropyrimidinium Salts and Determination of Their Biological Properties and Molecular Docking

Basit Öğe Kaydı
dc.authoridDemir, Yeliz/0000-0003-3216-1098
dc.authoridGulcin, ilhami/0000-0001-5993-1668
dc.authorwosidDemir, Yeliz/ABI-5719-2020
dc.authorwosidOZDEMIR, ISMAIL/KVY-3420-2024
dc.authorwosidGulcin, ilhami/F-1428-2014
dc.contributor.authorKaraca, Emine Ozge
dc.contributor.authorGurbuz, Nevin
dc.contributor.authorDemir, Yeliz
dc.contributor.authorTuzun, Burak
dc.contributor.authorOzdemir, Ismail
dc.contributor.authorGulcin, Ilhami
dc.date.accessioned2024-08-04T20:56:03Z
dc.date.available2024-08-04T20:56:03Z
dc.date.issued2024
dc.departmentİnönü Üniversitesien_US
dc.description.abstractSeveral of 3,4,5,6-tetrahydropyrimidinium salts with 1-methyl functionalization are produced. By using techniques for 1H-NMR, 13C-NMR, and IR spectroscopy, all compounds were investigated. Additionally, these compounds' abilities to block enzymes were looked into. They had a highly effective inhibitory effect on the isoenzymes of carbonic anhydrases I and II, butyrylcholinesterase (BChE), and acetylcholinesterase (AChE). Ki values were found in the range of 57.43 +/- 7.09-170.09 +/- 50.91 nM for AChE, 7.19 +/- 0.42-69.08 +/- 2.44 nM for BChE, and 46.48 +/- 5.74-203.38 +/- 46.15 nM for hCA I, and 30.19 +/- 4.03-171.96 +/- 30.27 nM for hCA II. As a result, 1,3-disubtitituted tetrahydroprimidinium salts exhibited potent inhibition profiles toward indicated metabolic enzymes. One of the most important methods for designing and creating novel, potent medications to treat Alzheimer's disease (AD) worldwide is the synthesis and discovery of new AChE and BChE inhibitors. The activities of synthesized 3,4,5,6-tetrahydropyrimidinium salts were compared against various proteins that are crystal structure of AChE (PDB ID: 4 M0E), crystal structure of BChE (PDB ID: 5NN0), crystal structure of hCA I (PDB ID: 2CAB), and crystal structure of hCA II (PDB ID: 3DC3), and then the drug properties of these molecules were examined. In this study, we have designed and synthesized a series of 1,3-disubtitituted tetrahydropyrimidinium salts were synthesized and characterized by IR and NMR spectra. These compounds were evaluated against the AChE, BChE, hCA I and hCA II enzymes. These compounds showed good enzyme inhibition profiles. The activities of the investigated 1,3-disubstituted tetrahydropyrimidinium salts were compared to the theoretical calculations results using molecular docking. imageen_US
dc.description.sponsorshipInonu University Research Fund; Scientific Research Project Fund of Sivas Cumhuriyet University (CUBAP) [IUE-BAP:FBG-2021-2562]; [RGD-020]en_US
dc.description.sponsorshipThis study was supported by Inonu University Research Fund (IUE-BAP:FBG-2021-2562) and by the Scientific Research Project Fund of Sivas Cumhuriyet University (CUBAP) under the project number RGD-020.en_US
dc.identifier.doi10.1002/slct.202304440
dc.identifier.issn2365-6549
dc.identifier.issue19en_US
dc.identifier.scopus2-s2.0-85193268082en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1002/slct.202304440
dc.identifier.urihttps://hdl.handle.net/11616/102002
dc.identifier.volume9en_US
dc.identifier.wosWOS:001223511100001en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherWiley-V C H Verlag Gmbhen_US
dc.relation.ispartofChemistryselecten_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectEnzyme inhibitionen_US
dc.subjectTetrahydroprimidinium saltsen_US
dc.subjectCarbonic anhydraseen_US
dc.subjectButyrylcholinesteraseen_US
dc.subjectand Acetylcholinesteraseen_US
dc.titleSynthesis of 1,3-Disubtitituted Tetrahydropyrimidinium Salts and Determination of Their Biological Properties and Molecular Dockingen_US
dc.typeArticleen_US

Dosyalar

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu