Person: ABDURRAHMANOĞLU, SUZAN
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ABDURRAHMANOĞLU
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SUZAN
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Publication Open Access An InSilico Study of Chirality of Benzimidazole Amine Hybrids on The Inhibition Effects on Human Carbonic Anhydrase Isoenzymes and Acetylcholine Esterases(2022-05-12) ABDURRAHMANOĞLU, SUZAN; TUNÇ T., ABDURRAHMANOĞLU S., GÜNEL A., DEMİREL N., ALIM Z.Benzimidazole-hybrid have a unique chemical structure which show tremendous pharmacological activity such as anti-inflammatory, antiviral, anti-histaminic, antimicrobial [1,2]. Due to their biological and therapeutic activity they have been studied extensively in recent years. For instance, Richards et.al. showed that the main benzimidazole structure has good efficacy in treating allergy and asthma [3]. Carbonic anhydrase (CA) regulates the acidity of the chemical environment in the body and prevents body functions from being damaged. Due to these vital physiological properties extensive studies have been performed on CA enzymes. Anti-acetylcholineesterases (anti-AChE) are used as anti-Alzheimer drugs to treat moderate Alzheimer disease because of their enhanced cognitive connectivity cholinergic neurotransmission in clinic applications. There are many CA and AChE inhibitiors identified and used in clinic treatments [4]. In this study, efficacy of novel chiral benzimidazole amine hybrids as CA and AChE inhibitors have been studied in silico and compared with the in vitro results. The binding energies (scoring based) were obtained as negative scores which proves that all compounds were successfully docked at the active sites of CA isoenzymes and AChE. The highest binding energies were observed in the case of AChE and these results are in consistent with the experimental data since all of the compounds have shown very good inhibition activity by means of IC50 values. The ADME (adsorption, distribution, metabolism and excretion) were also showed that these compounds could be recognised as drug like potential towards AChE and CA proteinsPublication Open Access POSS-vinyl-urethane acrylate-based nanohybrid coating materials(2023-01-01) ABDURRAHMANOĞLU, SUZAN; KARATAŞ, SEVİM; Eren Y., Şen F., ABDURRAHMANOĞLU S., KARATAŞ S.The effect of POSS-vinyl-heptaisobutyl-substituted (POSSV) compounds as an inorganic additive on the thermal and physical properties of nanohybrid coating materials based on urethane acrylate (UA) resin has been investigated. A diol compound obtained from the reaction of itaconic acid and 1,2-epoxy cyclohexane has been used to produce an UV curable epoxy-based urathane acrylate resin. Nanohybrid coating materials were obtained by curing the UA resin with UV radiation through the thiol–ene reaction, mixed with various amounts of POSSV compounds. The structure of the UA resin was characterized by Fourier-transform infrared spectroscopy and nuclear magnetic resonance spectroscopy techniques. The UV curing process was also studied by the double bond conversion method. Aggregation of the nanohybrid materials was determined by X-ray diffraction. The thermal, non-flammability, and thermomechanical properties of the samples were examined by thermogravimetric analysis, limiting oxygen index, and dynamic mechanical analysis techniques. Light transmittance of the samples was determined by UV–Vis spectrophotometry, and their morphological structure was determined by scanning electron microscopy. In addition, gel contents, swelling rates, hardness, adhesion, contact angles, and resistance to chemicals and solvents of the samples were examined. In conclusion, nanohybrid materials obtained from the synthesized UA resin and improved with POSSV additive can be used in the coating industry.Publication Open Access Influence of chirality of benzimidazole amine hybrids on inhibition of human erythrocytes carbonic anhydrase I, II and acetylcholinesterase(2023-01-01) ABDURRAHMANOĞLU, SUZAN; Tunç T., ABDURRAHMANOĞLU S., Günel A., Alım Z., Demirel N.Novel chiral benzimidazole amine hybrids (4a–4d) were synthesized from commercially available amine [(R)- (+)-phenylethylamine, (−) (S)-(-)-phenylethylamine, (−) (R)-(-)-cyclohexylethylamine, (S)-(+)-cyclohexylethylamine] and 2-(chloromethyl)-N-tosyl-1H-benzimidazole. The synthesized compounds (4a–4d) were characterized by IR, NMR, and LC/MS analysis. The inhibitory effect of 4a–4d on human erythrocytes carbonic anhydrase I (hCA-I), II (hCA-II), and acetylcholinesterase (AChE) activity was investigated. For hCA-I, the IC50 values of 4a–4d were found to be 4.895 μM, 1.750 μM, 0.173 μM, and 0.620 μM, respectively, and for hCA-II, the IC50 values of 4a–4d were found to be 0.469 μM, 0.380 μM, 0.233 μM, 0.635 μM, respectively. Furthermore, IC50 values of 4a–4d on AChE were found as 87.5 nM, 100 nM, 26.92 nM, and 100 nM, respectively. In addition, molecular docking analysis was performed to evaluate the affinity of 4a–4d against hCA-I, hCA-II, and AChE and explain their binding interactions.