Synthesis, inhibition effects, molecular docking and theoretical studies as Paraoxonase 1 (PON1) inhibitors of novel 1,4-dihydropyridine substituted sulfonamide derivatives

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dc.contributor.authorKaya, Mustafa Oguzhan
dc.contributor.authorDemirci, Tuna
dc.contributor.authorÖzdemir, Oğuzhan
dc.contributor.authorÇalışır, Ümit
dc.contributor.authorSönmez, Fatih
dc.contributor.authorArslan, Mustafa
dc.date.accessioned2023-07-26T11:51:10Z
dc.date.available2023-07-26T11:51:10Z
dc.date.issued2023
dc.departmentDÜ, Rektörlük, Bilimsel ve Teknolojik Araştırmalar Uygulama ve Araştırma Merkezien_US
dc.description.abstractThe novel sulfonamide substitute 1,4-dihydropyridine derivatives were synthesized by the method of Hantzsch reaction. They have been characterized by FT-IR spectroscopy, H-1-NMR, C-13-NMR, and elemental analysis. PON1 which is an antioxidant enzyme has important functions in cardiovascular systems. The enzyme has been purified using a two-step method such as ammonium sulfate precipitation and sepharose-4B-l-tyrosine-9-aminophenanthrene hydrophobic interaction chromatography. The results demonstrated that all the synthesized compounds inhibited PON1 enzyme. The best inhibition effect was observed in compound (1) for PON1 enzyme (IC50: 8.04 mu M, K-i: 5.43 mu M). The free radical scavenging for PON1 was discovered as 20.16 mg/mL, while drug score value was reported as 0.13 for compound (1). Furthermore, the lowest binding energy (-1.31 kcal/mol) determined by molecular docking for PON1 enzyme and the lowest LUMO-HOMO gap ( increment E = 3.12 eV) were calculated for compound (1).en_US
dc.identifier.doi10.1007/s00044-023-03029-7
dc.identifier.issn1054-2523
dc.identifier.issn1554-8120
dc.identifier.scopus2-s2.0-85149012757en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1007/s00044-023-03029-7
dc.identifier.urihttps://hdl.handle.net/20.500.12684/12507
dc.identifier.wosWOS:000942171600003en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorDemirci, Tuna
dc.language.isoenen_US
dc.publisherSpringer Birkhauseren_US
dc.relation.ispartofMedicinal Chemistry Researchen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.snmz$2023V1Guncelleme$en_US
dc.subjectPon1; Inhibition; Drug Score; Molecular Docking; 1; 4-Dihydropyridineen_US
dc.subjectPharmacological-Activities; Drug Discovery; Purificationen_US
dc.titleSynthesis, inhibition effects, molecular docking and theoretical studies as Paraoxonase 1 (PON1) inhibitors of novel 1,4-dihydropyridine substituted sulfonamide derivativesen_US
dc.typeArticleen_US

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