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Öğe From synthesis to biological impact of palladium bis(benzimidazol-2-ylidene) complexes: Preparation, characterization, and antimicrobial and scavenging activity(De Gruyter Poland Sp Z O O, 2023) Amri, Nasser; Mukhrish, Yousef E.; Ozdemir, Ismail; Gurbuz, Nevin; Arfaoui, Youssef; Mansour, Lamjed; Gatri, RafikPalladium-based complexes with the ligand N-heterocyclic carbene have long received attention as active catalysts for many catalytic reactions. Recently, the biological activities of these air- and moisture-stable complexes have also been investigated. In our work, bis(benzimidazol-2-ylidene)palladium complexes 3a-d were synthesized by reacting benzimidazolium salts 2a-d with PdCl2 under reflux in tetrahydrofuran for 24 h and analyzed by spectroscopy (FT-IR [Fourier transform infrared], H-1 NMR [proton nuclear magnetic resonance]) characterization, C-13 NMR [carbon-13 (C13) nuclear magnetic resonance]), and elemental analysis. The in vitro antibacterial and antifungal activities of these complexes were studied against Gram-positive and Gram-negative microorganisms, and two different fungi showed their remarkable biological potential. In addition, the analysis of the 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radicals using spectrophotometry showed that they are an antioxidant. The potent antibacterial and antioxidant activities of the synthetic complexes suggest that they are more effective antibacterial agents. Our study extends the biological relevance of palladium bis(benzimidazol-2-ylidene) complexes with antibacterial and antioxidant activities. Furthermore, the main goal of the docking simulation is to provide a detailed analysis of the interaction between the complex and the protein of interest.Öğe From Synthesis to Biological Impact of Ru (II) Complexes: Preparation, Characterization, Antimicrobial, Antioxidant scavenging and Enzymatic inhibitory activities(Natl Inform & Document Centre, 2023) Amri, Nasser; Mukhrish, Yousef E.; Gatri, Rafik; Gurbuz, Nevin; Ozdemir, Ismail; Dridi, Khaireddine; Hamdi, NaceurThe reaction of [RuCl2(p-cymene)]2 with in situ prepared Ag-N-heterocyclic carbene (NHC) complexes yields a series of [RuCl2(p-cymene) (NHC)] complexes 3. The structures of complexes were established by appropriate spectroscopic methods and elemental analyses. The biological activities of the synthesized ligands and their Ru (II) complexes as acetylcholinesterase, antimicrobial, and antioxidant agents were evaluated. The lowest MICs values were obtained with the two complexes 3b and 3d. The enzymatic inhibitory investigation against acetylcholinesterase (AChE) and tyrosinase (TyrE), showed that the two complexes 3b and 3d are the most potent inhibitors against (AchE) with an IC50 of 2.52 and 5.06 & mu;g mL-1 respectively, and against (TyrE) with an IC50 of 19.88 and 24.95 & mu;g mL-1 respectively. Additionally, DPPH (2,2-diphenyl-1-picrylhydrazyl) has been tested for its ability to scavenge hydrogen peroxide and free radicals. According to our results, these compounds exhibitÖğe Novel ruthenium(ii) N-heterocyclic carbene complexes: Synthesis, characterization, and evaluation of their biological activities(De Gruyter Poland Sp Z O O, 2023) Jawhari, Ahmed Hussain; Amri, Nasser; Mukhrish, Yousef E.; Gatri, Rafik; Ozdemir, Ismail; Gurbuz, Nevin; Mansour, LamjedA series of ruthenium(ii) complexes with N-heterocyclic carbene (NHC) ligands of the general type (arene)(NHC)Ru(ii)X-2 (where X = halide) (3a-3d) were synthesized and characterized in order to compare their antibacterial activities with benzimidazolium salts 2. Our comparison revealed that ruthenium(ii) NHC complexes 3 were more active than benzimidazolium salts 2. Furthermore, the two complexes 3b and 3d had a potent inhibitory effect against acetylcholinesterase with an IC50 of 4.52 and 4.04 gmL(-1) and against tyrosinase with an IC50 of 20.77 and 25.84 gmL(-1), respectively. In addition, screening of benzimidazolium salts (2a-2d) and their ruthenium(ii) complexes (3a-3d) against colon carcinoma cell lines (HCT-116) and hepatocellular carcinoma cell lines (HepG-2) were studied. The obtained results revealed that complex 3a is the most active against vinblastines.Öğe Synthesis, crystallographic structure, theoretical analysis, molecular docking studies, electronic properties and biological activity evaluation of ruthenium-complex bearing N-heterocyclic carbene ligand(Royal Soc Chemistry, 2023) Slimani, I.; Amri, Nasser; Mukhrish, Yousef E.; Gurbuz, Nevin; Ozdemir, Ismail; Ghalla, Houcine; Ozdemir, NamikThe development of new classes of antimicrobials is urgently needed due to the widespread occurrence of multi-resistant pathogens. In this study, novel ruthenium N-heterocyclic carbene 3 was synthesized and characterized by single X-ray crystallography, FT-IR, NMR spectroscopy and elemental analysis. The geometric structure of the ruthenium N-heterocyclic carbene has been optimized in the framework of density functional theory (DFT) using the B3LYP-D3 dispersion functional with LANL2DZ as a basis set. The vibrational frequency modes have been calculated and compared to the experimental ones. Various intermolecular interactions between neighboring molecules, which play a significant role in the determination of the structural packing pattern, are investigated using the generated Hirshfeld surfaces and non-covalent reduced density gradient (NCI-RDG) analysis. The electronic properties, such as the absorption spectrum, frontier orbital isosurfaces, energy gap, and reactivity descriptors, are computed employing the TD-DFT approach. The docking simulations allowed us to investigate the antimicrobial and antioxidant activities of the title compound and to figure out the impact of the substituted aromatic rings and the heteroatoms with the aim of the enhancement of biological activities.