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Öğe Synthesis, characterization and bioactivities of dative donor ligand N-heterocyclic carbene (NHC) precursors and their Ag(I)NHC coordination compounds(Pergamon-Elsevier Science Ltd, 2021) Kazanci, Ali; Gok, Yetkin; Kaya, Ruya; Aktas, Aydin; Taslimi, Parham; Gulcin, IlhamiThis study contains the synthesis of N-phthalimidomethyl-substituted NHC precursors and their Ag(I) NHC coordination compounds. The NHC precursors were synthesized from the 1-(N-phthalimidomethyl)benzimidazole and alkyl/aryl halide. The Ag(I)NHC coordination compounds were synthesized from the N-phthalimidomethyl substituted benzimidazolium salts and silver oxide via the in-situ deprotonation method. The formation of all compounds was proved fully by H-1 NMR, C-13 NMR, FTIR and elemental analysis techniques. Also, these novel N-phthalimidomethyl substituted NHC precursors and Ag(I) NHC coordination compounds were found as effective inhibitors for acetylcholinesterase (AChE), human carbonic anhydrase I isoenzyme (hCA I), human carbonic anhydrase II isoenzyme (hCA II), and butyrylcholinesterase (BChE) with inhibition constants (K(i)s) in the range of 1.00 +/- 0.14-2.31 +/- 0.58 mu M for hCA I, 1.30 +/- 0.21-2.85 +/- 0.56 mu M for hCA II, 0.35 +/- 0.06-2.58 +/- 0.70 mu M for AChE, and 0.42 +/- 0.01- 1.27 +/- 0.16 mu M for BChE, respectively. (C) 2020 Elsevier Ltd. All rights reserved.Öğe Synthesis, characterization and inhibitor properties of benzimidazolium salts bearing 4-(methylsulfonyl)benzyl side arms(Elsevier, 2023) Guzel, Abdussamat; Noma, Samir Abbas Ali; Sen, Betul; Kazanci, Ali; Taskin-Tok, Tugba; Kolac, Turgay; Aktas, AydinHerein, a series of N-heterocyclic carbene (NHC) precursors bearing sulfonyl moieties was prepared. 1-(4-(methylsulfonyl)benzyl)-3-alkylbenzimidazolium chloride salts were synthesized with the reaction of 1-alkylbenzimidazoles with 4-(methylsulfonyl)benzyl chloride. These compounds were characterized by using 1 H NMR, 13 C NMR, FT-IR spectroscopy and elemental analysis techniques. Molecular and crystal structures of compounds 2e and 2j were determined by using the single-crystal X-ray diffraction method. Furthermore, enzyme inhibitory properties of benzimidazolium salt were tested against xanthine oxidase (XO) and acetylcholinesterase (AChE), then determined the IC50 value range of XO were determined from 0.218 to 1.927 mu M, while the IC50 for AChE were determined from 1.328 to 5.22. Docking applications were used by using AutoDock4 in order to define the binding pose of the selected compounds, ( 2c, 2d and 2g ) and also to visualize the correlation of the generated optimal complexes. It is found that the compound 2g has good binding affinity (-11.24 kcal/mol) against AChE, on the other side, compound 2c shows the lowest binding energy (-8.32 kcal/mol) for the XO target. These findings and the defined compounds could be as potential agents to develop effective medicine for AChE and XO in the future.(c) 2022 Elsevier B.V. All rights reserved.