Kaya, Mustafa OguzhanDemirci, TunaOzdemir, OguzhanCalisir, UmitSonmez, FatihArslan, Mustafa2024-12-242024-12-2420231054-25231554-8120https://doi.org/10.1007/s00044-023-03029-7https://hdl.handle.net/20.500.12604/5967The 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).eninfo:eu-repo/semantics/closedAccessPON1InhibitionDrug scoreMolecular docking14-dihydropyridineArticle325841855Q3WOS:000942171600003Q12-s2.0-8514901275710.1007/s00044-023-03029-7