Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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Article Citation - WoS: 3Citation - Scopus: 3Copper and Nickel Complexes Based on 4-((4 Diazenyl)-3 Synthesis, Characterization, X-Ray Studies, Dft Calculations, Molecular Docking and Antimicrobial Activity(Elsevier, 2024) Amin, Mina A.; Diker, Halide; Sahin, Onur; Varlikli, Canan; Soliman, Ahmed A.Two new copper(II) and nickel(II) complexes were prepared using 4-((4-nitrophenyl)diazenyl)-3-(trifluoromethyl)-1H-pyrazol-5-ol (ndtp) and well-characterized spectroscopically and thermally and via X-ray studies. X-ray studies confirmed the formation of two octahedral complexes, containing two ndtp and two coordinated DMF molecules. The two complexes were evaluated in vitro against Escherichia coli, Pseudomonas aeruginosa, , Staphylococcus aureus and Bacillus cereus. . [Ni(ndtp)2(DMF)2] 2 (DMF) 2 ] showed an enhanced antibacterial activity against the different bacterial strains compared to the free ligand and that of the [Cu(ndtp)2(DMF)2]. 2 (DMF) 2 ]. The mean inhibition zones exhibited by [Ni(ndtp)2(DMF)2] 2 (DMF) 2 ] were 14.7+0.6, +0.6, 14.0+1.0, +1.0, and 16.3+0.6 +0.6 mm against Escherichia coli, , Staphylococcus aureus and Bacillus cereus, , respectively. Molecular docking studies of the two complexes were performed with DNA gyrase of Escherichia coli (PDB ID: 6F86) to evaluate the potential antibacterial activities, and it was proved that the complexes were efficient for the receptor.Article Citation - WoS: 5Citation - Scopus: 6Sequence Identification and in Silico Characterization of Novel Thermophilic Lipases From Geobacillus Species(WILEY, 2023) Sürmeli, Yusuf; Tekedar, Hasan Cihad; Sanli-Mohamed, GulsahMicrobial lipases are utilized in various biotechnological areas, including pharmaceuticals, food, biodiesel, and detergents. In this study, we cloned and sequenced Lip21 and Lip33 genes from Geobacillus sp. GS21 and Geobacillus sp. GS33, then we in silico and experimentally analyzed the encoded lipases. For this purpose, Lip21 and Lip33 were cloned, sequenced, and their amino acid sequences were investigated for determination of biophysicochemical characteristics, evolutionary relationships, and sequence similarities. 3D models were built and computationally affirmed by various bioinformatics tools, and enzyme-ligand interactions were investigated by docking analysis using six ligands. Biophysicochemical property of Lip21 and Lip33 was also determined experimentally and the results demonstrated that they had similar isoelectric point (pI) (6.21) and T-m (75.5(degrees)C) values as T-m was revealed by denatured protein analysis of the circular dichroism spectrum and pI was obtained by isoelectric focusing. Phylogeny analysis indicated that Lip21 and Lip33 were the closest to lipases from Geobacillus sp. SBS-4S and Geobacillus thermoleovorans, respectively. Alignment analysis demonstrated that S144-D348-H389 was catalytic triad residues in Lip21 and Lip33, and enzymes possessed a conserved Gly-X-Ser-X-Gly motif containing catalytic serine. 3D structure analysis indicated that Lip21 and Lip33 highly resembled each other and they were alpha/beta hydrolase-fold enzymes with large lid domains. BAN Delta IT analysis results showed that Lip21 and Lip33 had higher thermal stability, compared to other thermostable Geobacillus lipases. Docking results revealed that Lip21- and Lip33-docked complexes possessed common residues (H112, K115, Q162, E163, and S141) that interacted with the substrates, except paranitrophenyl (pNP)-C10 and pNP-C12, indicating that these residues might have a significant action on medium and short-chain fatty acid esters. Thus, Lip21 and Lip33 can be potential candidates for different industrial applications.