Browsing by Author "Kazancioglu, Mustafa Zahrittin"

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Synthesis of 4-Diazocyclohexane Sulfonamide Drug Scaffolds: Investigating Enzyme Inhibition, Antioxidant, and Admet Properties
(Elsevier, 2025) Cetin, Adnan; Oguz, Ercan; Kazancioglu, Elif Akin; Guven, Betul; Kazancioglu, Mustafa Zahrittin; Turkan, Fikret
The inhibitory effects of several sulfonamide derivatives with a 4-diazocyclohexane backbone on alpha-glucosidase and alpha-amylase enzymes were explored. IC50 values for five sulfonamide derivatives were determined, ranging from 2.10 +/- 0.115 to 3.22 +/- 0.227 mu M for alpha-glucosidase and from 1.90 +/- 0.379 to 3.19 +/- 0.604 mu M for alpha-amylase. The results indicated that the inhibitory activity of these derivatives was comparable to the standard inhibitor acarbose. Additionally, the antioxidant potential of the sulfonamide derivatives was assessed using in vitro assays, including cupric ion (Cu2+) reduction, ferric ion (Fe3+) reduction (FRAP assay), DPPH radical scavenging, and ABTS+ radical scavenging methods. While no significant radical scavenging activity was observed in the ABTS assay, minimal antioxidant activity was detected in other methods compared to standard antioxidants. These findings suggest the potential of sulfonamide derivatives as dual enzyme inhibitors with limited antioxidant properties. Additionally, molecular docking and molecular dynamics (MD) simulations demonstrated the stability of 4-diazocyclohexane-based sulfonamide compounds-selected proteins complexes and provided detailed insights into 4a-e compounds-protein interactions at the molecular level. These findings formed the foundation for biologic activity these compounds with optimized binding properties and anticipated inhibitory activities. Moreover, an analysis of physicochemical descriptors and absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiles was conducted to obtain deeper insights into ADMET properties in alpha-glucosidase and alpha-amylase candidate inhibitors.
Urea Based Derivatives as Anticancer Agents: Cytotoxicity, GST Inhibition, Molecular Docking, ADME, and Molecular Dynamics Approaches
(John Wiley and Sons Inc, 2025) Demir, Zahide; Cetin, Adnan; Oguz, Ercan; Kazancioglu, Mustafa Zahrittin; Kazancioglu, Elif Akin; Türkan, Fikret
The primarily the inhibition effects of four urea derivatives (10a–d) were evaluated against glutathione S-transferase (GST) enzyme. The IC50 values of 10a–d molecules were determined to be in the range of 1.69–2.21 µM. Lineweaver-Burk graphs of 10a–d inhibitor molecules were drawn and the Ki constant of the molecules was calculated to be in the range of 0.54–6.62 µM. The IC50 value of the ethacrynic acid (INN) was found to be 3.26 µM and the Ki constant was 9.25 µM. The antiproliferative effects of 10a–d molecules were investigated in hepatocellular carcinoma (HepG2) cell lines using MTT assay. Their inhibition concentrations were found to be a 50% decrease in cell viability. The in vitro experimental data for 10a–d molecules were supported by extensive in silico analyses such as molecular docking, molecular dynamics simulation and ADME profiling, and their biological effects were explained at the molecular level. © 2025 Elsevier B.V., All rights reserved.