Investigation of the effects of 1,2,4-triazole and thiazole ring-containing hybrid molecules on carbonic anhydrase I and II

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dc.contributor.authorCamadan, Yasemin
dc.contributor.authorAkkemik, Ebru
dc.contributor.authorGüller, Pınar
dc.contributor.authorCeylan, Şule
dc.contributor.authorÖzdemir, Hasan
dc.date.accessioned2024-11-25T11:48:39Z
dc.date.available2024-11-25T11:48:39Z
dc.date.issued2024
dc.departmentAÇÜ, Orman Fakültesi, Orman Endüstri Mühendisliği Bölümüen_US
dc.description.abstractCarbonic anhydrase (CA, EC 4.2.1.1) is an enzyme that catalyzes the reversible reaction of carbon dioxide to bicarbonate and a proton under physiological conditions. Pharmaceutical research has gained importance since the design of novel compounds that inhibit CA I–II isoenzymes has a promising approach for pharmacological intervention in many diseases. Triazole derivatives have attracted attention due to their chemotherapeutic, antifungal, antiviral, antibiotic, analgesic, and antifungal activities. Therefore, in this study, the effect of 1,2,4-triazole and thiazole ring-containing compounds on human carbonic anhydrase I (hCA I) and II (hCA II) isoenzymes were investigated in vitro. For this purpose, hCA I and hCA II isoenzymes were purified by Sepharose-4B affinity column chromatography. Estimation of inhibition mechanism and drug-likeness characteristics of compounds were also determined using molecular docking simulation. The inhibitory effects of ten compounds were investigated. Activity vs. concentration graphs were prepared for each compound and IC50 values or AC50 were calculated from these graphs. It was revealed that some of the compounds exhibited selective inhibition on carbonic anhydrase isoenzymes. The studied compounds are considered to be drug candidates.
dc.identifier.doi10.1002/slct.202303236
dc.identifier.issn2365-6549
dc.identifier.issue6en_US
dc.identifier.scopusqualityQ3
dc.identifier.urihttp://dx.doi.org/10.1002/slct.202303236
dc.identifier.urihttps://hdl.handle.net/11494/5007
dc.identifier.volume9en_US
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoenen_US
dc.publisherJohn Wiley and Sons Incen_US
dc.relation.ispartofChemistrySelect
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/embargoedAccessen_US
dc.subjectADMETen_US
dc.subjectCarbonic Anhydraseen_US
dc.subjectEnzyme Inhibitionen_US
dc.subjectMolecular Dockingen_US
dc.titleInvestigation of the effects of 1,2,4-triazole and thiazole ring-containing hybrid molecules on carbonic anhydrase I and IIen_US
dc.typeArticle

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