Yazar "Noma, Samir Abbas Ali" seçeneğine göre listele

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    Synthesis and Molecular Docking Studies of New Ibuprofen Derivatives as AChE, BChE, and COX-2 Inhibitors
    (Wiley-V C H Verlag Gmbh, 2024) Hizliates, Cevher Gundogdu; Aydin, Ebru; Noma, Samir Abbas Ali; Kaya, Yunus; Osman, Bilgen; Demir, Nalan
    Alzheimer's disease (AD), the most common age-related neurodegenerative condition, is named after Alois Alzheimer and is marked by a progressive deterioration in memory, cognitive function, and behavior. Research has highlighted the importance of nonsteroidal anti-inflammatory drugs (NSAIDs) in inhibiting the aggregation of amyloid beta-peptide (A beta), a key feature of AD pathology. Ibuprofen, an NSAID from the propionic acid class, is widely used to manage osteoarthritis and rheumatoid arthritis, exhibiting strong anti-inflammatory and antipyretic effects. However, the drug's acidic group limits its selectivity for cyclooxygenase (COX) enzymes and contributes to several adverse effects. This study aimed to modify the acidic moiety of ibuprofen into lactone (IBU-O 1-4) and lactam (IBU-I 1-3) derivatives to mitigate these side effects. The structural properties of the synthesized imidazolone (IBU-I 1-3) and oxazolone (IBU-O 1-4) derivatives were characterized through Q-TOF LC-MS, H-1-NMR, C-1(3)-NMR, and IR spectroscopy. Molecular docking studies followed by Ellman's method assessed the inhibitory effects of these compounds on acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), while an enzyme immunoassay (EIA) kit was used to evaluate their inhibition of cyclooxygenase-2 (COX-2).
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    Synthesis, enzyme inhibition and molecular docking studies of novel 1,2,4-oxadiazole thioether derivatives
    (Springer Birkhauser, 2024) Olmez, Nevin Arikan; Noma, Samir Abbas Ali; Kaya, Yunus; Osman, Bilgen
    A new series of thioethers containing a 1,2,4-oxadiazole ring were synthesized by the modified Riemschneider reaction. The corresponding thiocyanate derivatives of 1,2,4-oxadiazoles were obtained in good yields by the reaction of 3-aryl-5-chloromethyl-1,2,4-oxadiazole compounds with NH4SCN in triethylene glycol at 60 degrees C as a new method. Thioether derivatives were synthesized by reacting 5-thiocyanato-3-aryl-1,2,4-oxadiazole with various tertiary or secondary alcohols in solvent-free conditions for 10-30 min at 60 degrees C. The synthesized compounds were characterized by various spectroscopic methods (FTIR, H-1 NMR, C-13 NMR, and HRMS). All 1,2,4-oxadiazole-thioethers were tested for xanthine oxidase (XO), acetylcholinesterase (AChE), and butyrylcholinesterase (BChE) inhibition potential. The results showed that 4 h has more potential inhibition activity than positive control for XO (IC50 = 0.41 +/- 0.067 mu M) and AChE/BChE (IC50 = 0.95 +/- 0.42 mu M/1.49 +/- 0.45 mu M) and is considerably greater than other compounds. Moreover, our experimental study was supported by molecular docking to describe the binding mode of new structures to enzymes. The molecular docking calculations showed that molecules with high binding energy with at least one enzyme were 4b, 4d, 4g, 4h, 4i, 4j, 4k, and 4l. The physicochemical, ADMET, and drug-likeness parameters were computed using the SwissADMET online program. In silico studies of the molecules demonstrated that five molecules, 4b, 4d, 4g, 4h, and 4l, had relatively optimum drug similarity and medicinal chemistry properties. The five molecules synthesized and characterized in this study can be further investigated as drug or drug-like compound candidates.