Potential thiosemicarbazone-based enzyme inhibitors: assessment of antiproliferative activity, metabolic enzyme inhibition properties, and molecular docking calculations

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dc.authoridParham Taslimi / 0000-0002-3171-0633
dc.authorscopusidParham Taslimi / 56658628800
dc.authorwosidParham Taslimi / AAL-2788-2020
dc.contributor.authorYakan, Hasan
dc.contributor.authorKoçyiğit, Ümit M.
dc.contributor.authorMuğlu, Halit
dc.contributor.authorErgül, Mustafa
dc.contributor.authorErkan, Sultan
dc.contributor.authorGüzel, Emre
dc.contributor.authorTaslimi, Parham
dc.contributor.authorGülçin, İlhami
dc.date.accessioned2022-02-28T14:14:56Z
dc.date.available2022-02-28T14:14:56Z
dc.date.issued2022en_US
dc.departmentİstinye Üniversitesien_US
dc.description.abstractA new series of thiosemicarbazone derivatives (1-11) were prepared from various aldehydes and isocyanates with high yields and practical methods. The structures of these compounds were elucidated by Fourier transform infrared, 1 H-nuclear magnetic resonance (NMR), 13 C-NMR spectroscopic methods and elemental analysis. Cytotoxic effects of target compounds were determined by 2,3-bis-(2-methoxy-4-nitro-5-sulfophenyl)-2H-tetrazolium-5-carboxanilide assay and compound 1 showed significant cytotoxic activity against both MCF-7 and MDA-MB-231 cells, with half-maximal inhibitory concentration values of 2.97 ?M and 6.57 ?M, respectively. Moreover, in this study, the anticholinergic and antidiabetic potentials of these compounds were investigated. To this aim, the effect of the newly synthesized thiosemicarbazone derivatives on the activities of acetylcholinesterase (AChE) and ?glycosidase (?-Gly) was evaluated spectrophotometrically. The title compounds demonstrated high inhibitory activities compared to standard inhibitors with Ki values in the range of 122.15-333.61 nM for ?-Gly (Ki value for standard inhibitor = 75.48 nM), 1.93-12.36 nM for AChE (Ki value for standard inhibitor = 17.45 nM). Antiproliferative activity and enzyme inhibition at the molecular level were performed molecular docking studies for thiosemicarbazone derivatives. 1M17, 5FI2, and 4EY6, 4J5T target proteins with protein data bank identification with (1-11) compounds were docked for anticancer and enzyme inhibition, respectively.en_US
dc.identifier.citationYakan H, Koçyiğit ÜM, Muğlu H, Ergul M, Erkan S, Güzel E, Taslimi P, Gülçin İ. Potential thiosemicarbazone-based enzyme inhibitors: Assessment of antiproliferative activity, metabolic enzyme inhibition properties, and molecular docking calculations. J Biochem Mol Toxicol. 2022 Feb 24:e23018.en_US
dc.identifier.doi10.1002/jbt.23018en_US
dc.identifier.issn1095-6670en_US
dc.identifier.issn1095-6670en_US
dc.identifier.pmid35199412en_US
dc.identifier.scopus2-s2.0-85125101248en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1002/jbt.23018
dc.identifier.urihttps://hdl.handle.net/20.500.12713/2517
dc.identifier.wosWOS:000760154000001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.institutionauthorTaslimi, Parham
dc.language.isoenen_US
dc.relation.ispartofJ Biochem Mol Toxicolen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectSchiff Baseen_US
dc.subjectAntiproliferative Activityen_US
dc.subjectEnzyme Inhibitionen_US
dc.subjectMolecular Dockingen_US
dc.subjectThiosemicarbazoneen_US
dc.titlePotential thiosemicarbazone-based enzyme inhibitors: assessment of antiproliferative activity, metabolic enzyme inhibition properties, and molecular docking calculationsen_US
dc.typeArticleen_US

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