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YALÇIN, BAHATTİN

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YALÇIN

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BAHATTİN

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2020 - 20212
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Author: ÖZDEMİR, MÜCAHİT × Subject: CARBONIC-ANHYDRASE ×

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    Synthesis, spectroscopic characterization, crystal structure, density functional theory studies and biological properties of coordination complex Ni(II) 2-fluorobenzoate with 3-hydroxypyridine
    (WILEY, 2020) YALÇIN, BAHATTİN; Sertcelik, Mustafa; Ozbek, Fureya Elif; Taslimi, Parham; Durman, Murat; Ozdemir, Mucahit; Yalcin, Bahattin; Necefoglu, Hacali; Hokelek, Tuncer
    A novel Ni(II) complex containing 2-fluorobenzoate and 3-hydroxypyridine ligands was synthesized and characterized using elemental analysis, Fourier transform infrared (FT-IR) spectroscopy and single-crystal X-ray diffraction. FT-IR peaks show that the carboxylate group from 2-fluorobenzoate has a monodentate coordination mode. The coordination environment around the Ni2+ ion is of distorted octahedral geometry. The octahedral geometry consists of a total of four oxygen atoms from two carboxylate groups of two fluorobenzoate anions, two water molecules and two nitrogen atoms from two 3-hydroxypyridine ligands. The complex shows excellent inhibitory effects against some metabolic enzymes. K-i values for the complex were found as 108.17 +/- 25.63, 124.88 +/- 36.20, 28.11 +/- 2.87, 20.95 +/- 5.65 and 32.63 +/- 9.67 mu M against human carbonic anhydrase I, human carbonic anhydrase II, alpha-glycosidase, acetylcholinesterase and butyrylcholinesterase, respectively. In addition, geometry optimization and vibration frequencies were calculated, and single point energy was studied based on optimization. Experimental and theoretical data were compared. The B3LYP/6-31G(d,p) basis set was used for all calculations.
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    Phthalocyanines bearing silazane group for colorectal cancer
    (ELSEVIER SCI LTD, 2021) GÖRGÜLÜ, AHMET ORHAN; Ozdemir, Mucahit; Artuc, Gamze Ozgul; Guler, Eray Metin; Yalcin, Bahattin; Salan, Umit; Bozali, Kubra; Gorgulu, Ahmet Orhan; Bulut, Mustafa
    The synthesis of bis(trimethylsilyl)amine substituted zinc(II), and indium(III) chloride phthalocyanine complexes have been performed. The obtained compounds were characterized by spectroscopic methods. All synthesized phthalocyanine derivatives were evaluated for cytotoxic, genotoxic, and apoptotic activities on LoVo cell lines which are the standard colorectal cancer cell lines derived from metastatic site: left supraclavicular region. Nonperipheral silazane substituted zinc phthalocyanine (5) showed quite different behavior from all the other compounds analyzed and found to be the best cytotoxic, genotoxic, and apoptotic compound. All derivatives showed no proliferative effect at all doses. All phthalocyanine compounds increased cytotoxicity, DNA damage, apoptosis, and intracellular ROS dose-dependent manner. To explain and verify in vitro tests, phthalocyanine compound structures were optimized using density functional theory, and in silico molecular docking studies on B-DNA dodecamer were performed. Both the experimental and theoretical findings comply with each other.