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dc.contributor.authorKorkmaz, Işıl Nihan
dc.contributor.authorTürkeş, Cüneyt
dc.contributor.authorDemir, Yeliz
dc.contributor.authorÖzdemir, Hasan
dc.contributor.authorBeydemir, Şükrü
dc.date.accessioned2023-05-22T13:33:37Z
dc.date.available2023-05-22T13:33:37Z
dc.date.issued2022en_US
dc.identifier.citationKorkmaz IN, Türkeş C, Demir Y, Özdemir H, Beydemir Ş. Methyl benzoate derivatives: in vitro Paraoxonase 1 inhibition and in silico studies. J Biochem Mol Toxicol. 2022 Oct;36(10):e23152. doi: 10.1002/jbt.23152. Epub 2022 Jun 16. PMID: 35708184.en_US
dc.identifier.issn1095-6670
dc.identifier.issn1099-0461
dc.identifier.urihttps://doi.org/10.1002/jbt.23152
dc.identifier.urihttps://hdl.handle.net/11552/2977
dc.description.abstractParaoxonase 1 (PON1) can metabolize some compounds such as aromatic carboxylic acid and unsaturated aliphatic esters, arylesters, cyclic carbonate, plucuronide drugs, some carbamate insecticide classes, nerve gases, and lactone compounds. Methyl benzoate has recently been shown to display potent toxicity against several insect species. In the current study, we aimed to investigate the effect of the methyl benzoate compounds (1-17) on PON1 activity. Methyl benzoate compounds inhibited PON1 with K-I values ranging from 25.10 +/- 4.73 to 502.10 +/- 64.72 mu M. Compound 10 (methyl 4-amino-2-bromo benzoate) showed the best inhibition (K-I = 25.10 +/- 4.73 mu M). Furthermore, using the ADME-Tox, Glide XP, and MM-GBSA tools of the Schrodinger Suite 2021-4, a complete ligand-receptor interaction prediction was performed to characterize the methyl benzoates (1-17), probable binding modalities versus the PON1.en_US
dc.description.sponsorshipBu yayın "Anadolu University, 2102S003" tarafından desteklenmiştir.en_US
dc.language.isoengen_US
dc.publisherWileyen_US
dc.identifier.doi10.1002/jbt.23152en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectADME‐Toxen_US
dc.subjectIn Silico Studyen_US
dc.subjectMethyl Benzoateen_US
dc.subjectMolecular Dockingen_US
dc.subjectParaoxonaseen_US
dc.titleMethyl benzoate derivatives: in vitro Paraoxonase 1 inhibition and in silico studiesen_US
dc.typearticleen_US
dc.relation.ispartofJournal of Biochemical and Molecular Toxicologyen_US
dc.departmentRektörlük, Rektören_US
dc.authorid0000-0003-3667-6902en_US
dc.identifier.volume36en_US
dc.identifier.issue10en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.relation.indexPubMeden_US
dc.relation.indexScopusen_US
dc.relation.indexWoSen_US
dc.relation.indexWoS - Science Citation Index Expandeden_US
dc.contributor.institutionauthorBeydemir, Şükrü
dc.description.wospublicationidWOS:000811565500001en_US
dc.description.pubmedpublicationidPMID: 35708184en_US
dc.description.wosqualityEarly Accessen_US


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