Browsing by Author "Erturk, Adem"

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Chemical Profiling by Lchrms, Antioxidant Potential, Enzyme Inhibition, Molecular Docking and Molecular Dynamics Simulations of Acantholimon Acerosum
(Elsevier, 2025) Kiziltas, Hatice; Ortaakarsu, Ahmet Bugra; Bingol, Zeynebe; Erturk, Adem; Goren, Ahmet Ceyhan; Pinar, Suleyman Mesut; Gulcin, Hami
The principal objective of this study is to evaluate phenolic content and biological activity in vitro and silico properties of A. acerosum (Willd.) Boiss. subsp. acerosum's (A. acerosum). The antioxidant activity of A. acerosum was assessed in a variety of bioanalytical methods. Strong antioxidant activity was shown for both water (WEAA) and ethanol (EEAA) extracts of the aerial parts of A. Acerosum. Also, it was shown that hyperoside is the most prevalent phenolic compound in EEAA (12,940.83 mg kg(-1)) and WEAA (5409.67 mg kg(-1)) by LCHRMS. The enzyme inhibitory abilities of the EEAA were then realised. The IC50 values of EEAA against acetylcholinesterase (AChE) (E.C.3.1.1.7), alpha-glycosidase (E.C.3.2.1.20), and alpha-amylase (E.C.3.2.1.1) were determined as 1.828 mu g mL(-1), 0.615 mu g mL(-1), and 1.081 mu g mL(-1), respectively. Subsequently, the alpha-amylase, alpha-glycosidase, and AChE enzymes were subjected to molecular docking and molecular dynamic interactions using major compounds of EEAA as ligands. High enzyme-inhibiting properties of EEAA were also determined in silico. It has been reported that numerous traditional and contemporary medical applications of A. acerosum. It can be said that the effective antioxidant results obtained in our study are the basis of previously performed traditional or contemporary medical practices.
Comprehensive Metabolite Profiling of Berdav Propolis Using Lc-ms/Ms: Determination of Antioxidant, Anticholinergic, Antiglaucoma, and Antidiabetic Effects
(Mdpi, 2023) Karagecili, Hasan; Yilmaz, Mustafa Abdullah; Erturk, Adem; Kiziltas, Hatice; Guven, Leyla; Alwasel, Saleh H.; Gulcin, Ilhami
Propolis is a complex natural compound that honeybees obtain from plants and contributes to hive safety. It is rich in phenolic and flavonoid compounds, which contain antioxidant, antimicrobial, and anticancer properties. In this study, the chemical composition and antioxidant activities of propolis were investigated; ABTS(center dot+), DPPH center dot and DMPD center dot+ were prepared using radical scavenging antioxidant methods. The phenolic and flavonoid contents of propolis were 53 mg of gallic acid equivalent (GAE)/g and 170.164 mg of quercetin equivalent (QE)/g, respectively. The ferric ion (Fe3+) reduction, CUPRAC and FRAP reduction capacities were also studied. The antioxidant and reducing capacities of propolis were compared with those of butylated hydroxyanisole (BHA), butylated hydroxytoluene (BHT), alpha-tocopherol and Trolox reference standards. The half maximal inhibition concentration (IC50) values of propolis for ABTS(center dot+), DPPH center dot and DMPD center dot+ scavenging activities were found to be 8.15, 20.55 and 86.64 mu g/mL, respectively. Propolis extract demonstrated IC50 values of 3.7, 3.4 and 19.6 mu g/mL against alpha-glycosidase, acetylcholinesterase (AChE) and carbonic anhydrase II (hCA II) enzyme, respectively. These enzymes' inhibition was associated with diabetes, Alzheimer's disease (AD) and glaucoma. The reducing power, antioxidant activity and enzyme inhibition capacity of propolis extract were comparable to those demonstrated by the standards. Twenty-eight phenolic compounds, including acacetin, caffeic acid, p-coumaric acid, naringenin, chrysin, quinic acid, quercetin, and ferulic acid, were determined by LC-MS/MS to be major organic compounds in propolis. The polyphenolic antioxidant-rich content of the ethanol extract of propolis appears to be a natural product that can be used in the treatment of diabetes, AD, glaucoma, epilepsy, and cancerous diseases.
Some Novel Oxirane-Thiirane Derivatives: Synthesis, Molecular Docking and Enzymatic Inhibition for Therapeutic Potential
(Humana Press inc, 2025) Farzaliyev, Vagif; Erturk, Adem; Huseynova, Afat; Demir, Yeliz; Kiziltas, Hatice; Sujayev, Afsun; Gulcin, Ilhami
In this study, a series of new oxirane and thiirane (2a-g), were assessed for their influence on various metabolic enzymes, including acetylcholinesterase (AChE) and human carbonic anhydrase isoenzymes (hCA I and hCA II). So, in the first stage, 1-chloro-3-phenothiazylpropanol-2 (2), methyl, methoxy-substituted oxirane, thiirane (2a and 2b), methyl, 1,2-aminopropanethiols (2c-2f), trifluorinated aminethiol derivative (2g), have been synthesized. The structures of synthesized compound were confirmed by IR, NMR analysis. Enzyme inhibition studies demonstrated that all these compounds exhibited potent inhibitory effects on all the target enzymes, surpassing the standard inhibitors, as evidenced by their IC50 and Ki values. The Ki values for the compounds concerning AChE, hCA I, and hCA II enzymes were in the ranges of 1.21 +/- 0.072-12.64 +/- 0.12, 5.93 +/- 0.028- 81.87 +/- 12.52 and 61.43 +/- 10.01-344.22 +/- 33.87 nM, respectively. Additionally, molecular docking studies were conducted to investigate further the binding interactions of the most potent inhibitors with enzyme active sites, revealing strong hydrogen bonding, pi-stacking, and halogen interactions. These findings indicate that the synthesized compounds exhibit high affinity and specificity for the target enzymes, suggesting their potential for further development as therapeutic agents. Future studies will focus on optimizing the structural features of these compounds to enhance their selectivity and bioavailability, conducting in vivo evaluations to assess their pharmacokinetic and pharmacodynamic properties, and exploring their potential applications in the treatment of neurodegenerative and metabolic disorders.
Synthesis and Inhibitor Effect Novel Alkoxymethyl Derivatives of Dihetero Cycloalkanes on Carbonic Anhydrase and Acetylcholinesterase
(Wiley-v C H verlag Gmbh, 2024) Farzaliyev, Vagif; Erturk, Adem; Abbasova, Malahat; Nabiyev, Oruj; Demir, Yeliz; Kiziltas, Hatice; Gulcin, Ilhami
1,3-Diheterocycloalkanes derivatives are important starting materials in fine organic synthesis. These compounds can be widely used in various fields such as industry, medicine, biotechnology and chemical technology. The paper is focused on synthesis and study of alkoxymethyl derivatives of diheterocycloalkanes (M1-M15) and inhibition effect on carbonic anhydrase and acetylcholinesterase. The structures of compounds were confirmed by 1H and 13C NMR spectroscopy. Also, in this study alkoxymethyl derivatives of diheterocycloalkanes were assessed for their influence on various metabolic enzymes, including acetylcholinesterase (AChE) and human carbonic anhydrase isoenzymes (hCA I and hCA II). The results demonstrated that all these compounds exhibited potent inhibitory effects on all the target enzymes, surpassing the standard inhibitors, as evidenced by their IC50 and Ki values. The Ki values for the compounds concerning AChE, hCA I, and hCA II enzymes were in the ranges of 1.02 +/- 0.17-8.38 +/- 1.02, 15.30 +/- 3.15-58.14 +/- 5.17 and 24.05 +/- 3.70-312.94 +/- 27.24 nM, respectively. image