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Öğe Assessment of antioxidant, acetylcholinesterase, paraoxonase inhibition activities and phenolic content of Alchemilla lithophila(Univ Karachi, 2024) Guzel, AbdussamatIn the present study, antioxidant activity and inhibition of acetylcholinesterase (AChE) and paraoxonase (hPON 1) of Alchemilla lithophila extracts were evaluated for the first time. Besides, there is no research on the contents of phenolic compounds except for fatty acids. In this context, phenolic compounds of A. lithophila were investigated by liquid chromatography/ mass spectrometry (LC-MS/MS). The methanol extract of the A. lithophila exhibited significant inhibition on the AChE (IC50 value for methanol extract 0.162 +/- 0.25 mg /mL, R-2 :0.992). Besides, antioxidant activities of the A. lithophila extracts were examined using by the methods ABTS(center dot+)and DPPH center dot free radical scavenging potentials, FRAP and CUPRAC metal-reducing activities. ABTS(center dot+) and DPPH center dot scavenging activities were found for methanol extract at 70.67% and water extract at 75.38%, respectively. Also, FRAP and CUPRAC metal-reducing were determined for water extract 0.796 and hexane extract 1.570 as absorbance. According to LC-MS/MS analyses, the amounts of ellagic acid, catechin hydrate, gallic acid, fumaric acid, luteolin, quercetin, kaempferol, acetohydroxamic acid, caffeic acid, syringic acid, hydroxybenzoic acid and salicylic acid were determined by LC-MS/MS, respectively. As a consequence, this study will be a useful resource for determining bioactivity and phenolic compound profile for natural medicine research.Öğe Comparative analysis of phytochemical content and antioxidants, anti-cholinesterase, Anti-Atherogenic and molecular docking of Turkish Pelargonium (Pelargonium endlicherianum Fenzl.)(Elsevier, 2025) Guzel, Abdussamat; Ugur, Yilmaz; Oner, Erkan; Kolac, TurgayPelargonium endlicherianum Fenzl, a perennial shrub in the Geraniaceae family, holds ethnobotanical importance. This study is the first to evaluate the acetylcholinesterase (AChE) and paraoxonase (hPON1) inhibitory activities, alongside the antioxidant properties, of P. endlicherianum extracts. Using LC-MS/MS, 25 phenolic compounds were quantified, with ellagic acid (20,449.65 f 0.60 mg/kg), gallic acid (9,700.31 f 0.03 mg/kg), and fumaric acid (1,691.34 f 33.34 mg/kg) as the dominant bioactive components. Antioxidant assays (DPPH center dot, ABTS center dot+, FRAP, and CUPRAC) demonstrated that the ultrapure water extract exhibited superior activity, with a DPPH center dot scavenging capacity of 75.06 f 0.73% at 0.2 mg/mL. The ultrapure water extract significantly inhibited AChE with an IC50 value of 0.135 f 0.29 mg/mL, while no inhibition of hPON1 was observed, indicating an anti-atherogenic effect. Molecular docking analysis revealed ellagic acid as the most potent compound, with a binding affinity of -10.0 kcal/mol, outperforming the reference inhibitor tacrine (-8.6 kcal/ mol). Gene network analysis supported the involvement of ellagic acid, gallic acid, and fumaric acid in Alzheimer's disease-related pathways. These findings suggest that P. endlicherianum extracts possess significant antioxidant and AChE inhibitory properties, making them promising candidates for therapeutic applications, particularly in neurodegenerative disorders. (c) 2025 SAAB. Published by Elsevier B.V. All rights are reserved, including those for text and data mining, AI training, and similar technologies.Öğe Comparative chemical and biological evaluation of Urtica dioica extracts obtained by methanol and hexane: antioxidant, cytotoxic, apoptotic, and antimicrobial potentials(Bmc, 2025) Ugur, Yilmaz; Menevse, Irem Nur; Dundar, Muhammed; Karci, Huseyin; Zengin, Rukiye; Guzel, AbdussamatBackground Urtica dioica L. is a widely utilized medicinal plant with potential antioxidant, cytotoxic, and antimicrobial properties. Methods This study aimed to investigate its multi-target biological activities across four cell lines (A549, MDA-MB-231, HCT116, and BEAS-2B) while evaluating the impact of two extraction solvents (acidified methanol and hexane) on activity outcomes. Results The acidified methanolic extract exhibited higher total phenolic (61.25 +/- 3.07 mg GAE/g) and flavonoid (51.20 +/- 2.01 mg CE/g) content, correlating with superior antioxidant activity (DPPH: 84.36 +/- 1.50 mg TE/g; CUPRAC: 174.04 +/- 9.54 mg TE/g). In contrast, the hexane extract demonstrated stronger cytotoxicity across cancer cell lines (IC50: 3.10-4.12 mu g/mL), along with significant induction of apoptosis and G0/G1 cell cycle arrest, despite lower antioxidant capacity. In addition, both extracts increased the protein levels of p21 and cleaved caspase-3, suggesting involvement of cell cycle inhibition and activation of intrinsic apoptotic signalling pathways. Moderate antimicrobial activity was also observed, with inhibition zones ranging from 7 to 10 mm across bacterial and fungal strains. Conclusions These findings highlight the bioactive potential of U. dioica and the critical role of extraction solvent in modulating its total phenolic and flavonoid contents and biological effects. The observed upregulation of p21 and cleaved caspase-3 further supports the notion that U. dioica extracts may exert antiproliferative activity through p21-mediated cell cycle control and caspase-dependent apoptosis. Further in vivo studies and mechanistic investigations are needed to confirm these observations and clarify their potential therapeutic relevance.Öğe Integrated chemical and biological characterization of Hypericum perforatum extract using LC-MS/MS and in vitro functional assays(Nature Portfolio, 2026) Guzel, Mehmet Ali; Kolac, Turgay; Menevse, Irem Nur; Dundar, Muhammed; Zengin, Rukiye; Guzel, Abdussamat; Ugur, YilmazHypericum perforatum L. (St. John's wort) is a medicinal plant known for its diverse secondary metabolites and pharmacological potential. This study provides a comprehensive evaluation of the phytochemical composition and bioactivities of methanolic extracts from wild H. perforatum. LC-MS/MS analysis identified 36 compounds, including phenolic acids (chlorogenic acid, protocatechuic acid) and flavonoids (rutin, isoquercitrin, quercetin), with the first-time detection of genkwanin, vicenin-2, schaftoside, and afzelin, to the best of our knowledge. The extract demonstrated significant antioxidant activity, with a total phenolic content of 203.04 mg GAE/g DW and strong radical scavenging activity in DPPH (544.78 mg TE/g DW) and ABTS (312.15 mg TE/g DW) assays. In vitro assays showed marked cytotoxicity across multiple cancer cell lines, with IC50 values as low as 3.57 & micro;g/mL in A549 cells, indicating stronger activity compared to cisplatin. Flow cytometric analysis revealed substantial apoptosis induction (up to 53.67% in A549 cells) and G0/G1 cell cycle arrest (76.37% in A549). The extract also exhibited moderate antibacterial activity against E. coli and S. aureus, but no activity against P. aeruginosa or Candida species. These results position H. perforatum as a rich source of bioactive compounds with antioxidant, anticancer, and antimicrobial potential, and suggest further research into its therapeutic applications.Öğe LC-MS/MS Analysis, Antioxidant Properties and Inhibition Effect on Some Important Metabolic Enzymes of Nicotiana rustica L(Kahramanmaras Sutcu Imam Univ Rektorlugu, 2021) Necip, Adem; Isik, Mesut; Guzel, Abdussamat; Takim, Kasim; Kaygisiz, FeyzaBeing widely used since its discovery, tobacco contains many chemical substances including nitric oxide, hydrocarbons, aldehydes, phenols, quinone and semiquinone radicals, and causes the formation of oxygen-induced free radicals directly or indirectly. Therefore, it is important to know the oxidant/antioxidant properties, phenolic content of Nicotiana rustica Linn., and the effect studies on Paraoxonase (PON 1) and Acetylcholinesterase (AChE) which are important metabolic enzymes. In the study, the effect of extracts (water and methanol) of Nicotiana rustica Linn on PON 1 and AChE enzyme activity was examined. Water extract of Nicotiana rustica Linn Maras Powder with walnut, (MPWW) and methanol extract Maras Powder with Nicotiana rustica, (MPNR), Maras Powder with walnut, (MPWW) and Maras Powder with copper cauldron, (MPCC) had an inhibitory effect on AChE (IC50 values in the range of 0.104-0.203 mg ml(-1)). Also water extract MPCC and methanol extract MPNR, MPWW and MPCC showed an inhibition effect on PON 1 (IC50 values 0.013-0.225 mg ml(-1)). MPNR water extract showed the highest activity with 26% DPPH radical scavenging activity. MPCC water extract showed a 13% ABTS radical scavenging activity.Öğe N-Heterocyclic Compounds, In silico Molecular Docking Studies, and In vitro Enzyme Inhibition Effect against Acetylcholinesterase Inhibitors(Bentham Science Publ Ltd, 2023) Guzel, Abdussamat; Isik, Zeynep; Gok, Yetkin; Taskin-Tok, Tugba; Aktas, AydinBackground: This work contains the synthesis of seven new N-heterocyclic compounds bearing imidazole, benzimidazole, pyridine, and morpholine moieties.Objectives: We aimed to synthesize N-heterocyclic compounds for a more effective drug candidate to increase the amount of acetylcholine in synapses in Alzheimer's disease. All compounds were characterized by H-1 NMR, C-13 NMR, FTIR and elemental analysis. Enzyme inhibition activity of all compounds against acetylcholinesterase was investigated, which is an indirect treatment for Alzheimer's. Molecular docking was applied to estimate the binding energy of these compounds to the acetylcholinesterase.Methods:All compounds were synthesized from reactions of 2 equivalents of N-heterocyclic starting material and 1 equivalent of 4,4'-bis(chloromethyl)-1,1'-biphenyl. The inhibition parameters of IC50 and K-i were calculated by the spectrophotometric method. AutoDock4 was used to define the binding pose of the compounds.Results: K-i values were found in the range of 80.03 +/- 19.64 to 5014.98 +/- 1139.60 nM for AChE as an enzyme inhibition strategy, which is an important parameter for the treatment of neurodegenerative such as Alzheimer's disease. In this study, molecular docking is exerted to predict the binding energy of heterocyclic compounds (especially 2, 3, and 5) against acetylcholinesterase enzyme. Their docking binding energies are in good agreement with experimental findings.Conclusion: These new syntheses are drugs that can be used as AChE inhibitors in Alzheimer's disease.Öğe Phenolic Profile and Antioxidant Capacity of Helichrysum arenarium Extracts: A Comprehensive LC-MS/MS and Antioxidant Analysis(Kahramanmaras Sutcu Imam Univ Rektorlugu, 2025) Ugur, Yilmaz; Guzel, AbdussamatHelichrysum arenarium, commonly known as the immortal or everlasting flower, is a member of the Asteraceae family celebrated for its potential medicinal properties. This study aims to elucidate the phenolic profile and antioxidant properties of H. arenarium using advanced analytical techniques. Methanol extract of H. arenarium was Spectrometry (LC-MS/MS) to identify and quantify various phenolic compounds. The phenolic profile revealed high concentrations of luteolin (744.57 mg 100-1 g-1), quercetin (113.13 mg 100-1 g-1), and naringenin (229.60 mg 100-1 g-1), while other compounds were below the limit of quantification. The antioxidant capacity was evaluated using DPPH, ABTS, CUPRAC, and FRAP assays, showing moderate activity compared to standard antioxidants such as BHA, BHT, and Trolox. The methanol extract exhibited DPPH and ABTS radical scavenging activities of 19.14% and 26.91%, respectively, with FRAP and CUPRAC absorbance values of 0.441 and 0.653. These findings highlight the potential of H. arenarium as a source of natural antioxidants and pave the way for future research to optimize its therapeutic applications, especially in combating oxidative stress-related conditions.Öğe Synthesis, characterisation, biological evaluation and in silico studies of sulphonamide Schiff bases(Taylor & Francis Ltd, 2020) Durgun, Mustafa; Turkes, Cuneyt; Isik, Mesut; Demir, Yeliz; Sakli, Ali; Kuru, Ali; Guzel, AbdussamatSulphonamides are biologically important compounds with low toxicity, many bioactivities and cost-effectiveness. Eight sulphonamide derivatives were synthesised and characterised by FT-IR, C-13 NMR, H-1 NMR, LC-MS and elemental analysis. Their inhibitory effect on AChE, and carbonic anhydrase I and II enzyme activities was investigated. Their antioxidant activity was determined using different bioanalytical assays such as radical scavenging tests with ABTS(center dot+), and DPPH center dot+ as well as metal-reducing abilities with CUPRAC, and FRAP assays. All compounds showed satisfactory enzyme inhibitory potency in nanomolar concentrations against AChE and CA isoforms with K-I values ranging from 10.14 +/- 0.03 to 100.58 +/- 1.90 nM. Amine group containing derivatives showed high metal reduction activity and about 70% ABTS radical scavenging activity. Due to their antioxidant activity and AChE inhibition, these novel compounds may be considered as leads for investigations in neurodegenerative diseases.Öğe Synthesis, characterization and inhibitor properties of benzimidazolium salts bearing 4-(methylsulfonyl)benzyl side arms(Elsevier, 2023) Guzel, Abdussamat; Noma, Samir Abbas Ali; Sen, Betul; Kazanci, Ali; Taskin-Tok, Tugba; Kolac, Turgay; Aktas, AydinHerein, a series of N-heterocyclic carbene (NHC) precursors bearing sulfonyl moieties was prepared. 1-(4-(methylsulfonyl)benzyl)-3-alkylbenzimidazolium chloride salts were synthesized with the reaction of 1-alkylbenzimidazoles with 4-(methylsulfonyl)benzyl chloride. These compounds were characterized by using 1 H NMR, 13 C NMR, FT-IR spectroscopy and elemental analysis techniques. Molecular and crystal structures of compounds 2e and 2j were determined by using the single-crystal X-ray diffraction method. Furthermore, enzyme inhibitory properties of benzimidazolium salt were tested against xanthine oxidase (XO) and acetylcholinesterase (AChE), then determined the IC50 value range of XO were determined from 0.218 to 1.927 mu M, while the IC50 for AChE were determined from 1.328 to 5.22. Docking applications were used by using AutoDock4 in order to define the binding pose of the selected compounds, ( 2c, 2d and 2g ) and also to visualize the correlation of the generated optimal complexes. It is found that the compound 2g has good binding affinity (-11.24 kcal/mol) against AChE, on the other side, compound 2c shows the lowest binding energy (-8.32 kcal/mol) for the XO target. These findings and the defined compounds could be as potential agents to develop effective medicine for AChE and XO in the future.(c) 2022 Elsevier B.V. All rights reserved.
