Browsing by Author "Sadeghian, Nastaran"

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Synthesis of Zinc Phthalocyanine Complex Containing Tetra Propanoic Acid Groups: Electronic Properties and Inhibitory Effects on Some Metabolic Enzymes
(Elsevier, 2024) Solgun, Derya Gungordu; Sadeghian, Nastaran; Taslimi, Parham; Taskin-Tok, Tugba; Agirtas, Mehmet Salih
In the new study, first the synthesis and characterization of 2, 10, 16, 24-Tetrakis-3-(phenoxy) propanoic acid phthalocyaninato zinc (II)(4) and its starting compound are presented. The aggregation properties of compound (4) were investigated with the UV-visible spectrum, and the excitation and emission properties were investigated with the fluorescence spectra. The new compounds were characterized by IR, UV-visible, Mass and 1H NMR spectroscopy. These 3-(3,4-dicyanophenoxy) propanoic acid (3) and compound (4) had effective inhibition against alpha-glycosidase, alpha-amylase, butyrylcholinesterase and acetylcholinesterase. IC50 values were found as 4.21-6.57 mu M for AChE, 0.32-1.88 mu M for BChE, 47.14-62.07 mu M for alpha-amylase, and 13.41-21.82 mu M for alpha-glycosidase. By molecular docking study, compared to reference compounds (tacrine and acarbose) of compound (4) [-9.25 kcal/mol for AChE; -9.30 kcal/mol for BChE; -6.50 kcal/mol for alpha-amylase and -8.49 kcal/mol for alpha-glycosidase seem to be more effective and promising. Drug development for the treatment of diabetes, hyperglycemia, and obesity has as one of its design goals the creation of molecules that are alpha-amylase and alpha-glycosidase inhibitors. As a result, compound (4) can have promising anti Alzheimer drug potential and record as novel anti-diabetic inhibitors.
Synthesis of Zinc Phthalocyanine Containing 1,2-Phenylene Bis (3-Chloropropanoate) Substituted Groups and Investigation of Their Metabolic Enzyme Inhibitory Effects
(Pergamon-elsevier Science Ltd, 2024) Solgun, Derya Gungordu; Sadeghian, Nastaran; Taslimi, Parham; Taskin-Tok, Tugba; Agirtas, Mehmet Salih
In this study, 4,5-dicyano-1,2-phenylene dinicotinate compound was obtained as a result of the reaction of 4,5dichlorophthalonitrile and nicotinic acid. This compound was reacted with the zinc chloride salt to obtain the original zinc phthalocyanine compound bearing 1,2-phenylene bis(3-chloropropanoate) substituted groups. This compound and its starting material were characterized with the assist of 1 H NMR, IR, UV-vis, Mass spectrum. In the docking study of compounds (3) 3 ) and (4) 4 ) against each target (AChE, BChE, alpha-Amy and alpha-Gly), Zn complex (4) 4 ) exhibits more binding affinity with the target models considered compared to ligand structure (3). 3 ). Especially, AChE protein and complex (4) 4 ) form the best binding affinity with a binding energy value of-10.55 kcal/mol. They are compatible and supportive with the data obtained as a result of in vitro analysis. These 4,5-dicyano-1,2phenylene dinicotinate (3) 3 ) and 2, 10, 16, 24 - tetrakis 1,2-phenylene bis(3-chloropropanoate) phthalocyaninato) zinc(II) (4) 4 ) complexes had effective inhibition against alpha-glucosidase, alpha-amylase, butyrylcholinesterase and AChE. Also, IC50 50 amounts were found as 7.84 and 12.36 mu M for AChE, 3.80 and 4.56 mu M for BChE, 27.08 and 38.14 mu M for alpha-amylase, and 5.30 and 9.73 mu M for alpha-glucosidase.
Synthesis, Fluorescence, Enzymes Effects, and Evaluation of Tetrahydroxy Substituted Zinc Phthalocyanine as Multitarget Metabolic Enzyme Inhibitors With Molecular Docking: the Biochemistry-Oriented Drug Design
(Springer, 2024) Solgun, Derya Gungordu; Sadeghian, Nastaran; Taskin-Tok, Tugba; Agirtas, Mehmet Salih; Taslimi, Parham
Synthesis and properties of tetrahydroxy substituted zinc phthalocyanine is reported. UV-Visible spectrum for the aggregation properties of the compound and fluorescence properties were examined by excitation, emission spectra. This complex was an inhibitor of butyrylcholinesterase (BChE), alpha-Gly, alpha-Amy, and acetylcholinesterase (AChE) enzymes for tetra- hydroxy phthalocyaninato zinc (II) 3 with IC50 values of 49.18 mu M for alpha-Amy, 110.85 mu M for BChE, 35.13 mu M for alpha-glycosidase and 54.63 mu M for AChE, respectively. On the otherside, within the scope of computational study, in vitro activity behavior and states of the related complex, which cannot be explained experimentally, were evaluated at atomic level. The pharmacodynamics properties of the complex (3) were elucidated by molecular docking against four target enzymes, AChE, BChE, alpha-Gly and alpha-Amy. After that, its potential drug candidate was investigated based on its pharmacokinetic properties with help of in silico-ADMET analysis. As a result of all the applications, a desired goal in medicinal chemistry was to develop new, reliable and safe cholinesterase and alpha-glycosidase inhibitors with high efficacy.