Browsing by Author "Ortaakarsu, Ahmet Bugra"

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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 Metabolic Profiling of Acantholimon Caryophyllaceum Using Lc-Hrms and Evaluation of Antioxidant Activities, Enzyme Inhibition Properties and Molecular Docking Studies
(Elsevier, 2022) Kiziltas, Hatice; Bingol, Zeynebe; Goren, Ahmet Ceyhan; Pinare, Sueuroleyman Mesut; Ortaakarsu, Ahmet Bugra; Alwasel, Saleh H.; Gulcin, Lhami
The Acantholimon taxon consists of thorny, perennial and subshrub flowering plants. Extraction of various Acantholimon species are traditionally applied to treat liver disease and diabetes and roots are boiled used to treat wounds and skin irritation. Here, we quantified, the radical scavenging activities of ethanol (EEAC) and water (WEAC) extracts of Acantholimon caryophyllaceum Boiss (A. caryophyllaceum) against 1,1-diphenyl-2-picryl-hydrazyl (DPPHGreek ano teleia) and 2,2-azino-bis3-ethylbenzthiazoline-6-sulfonic acid (ABTS*+) as well as their abil-ity to reduce Fe3+, Fe3+-TPTZ, and Cu2+. The antioxidant activities of both extracts were similar to those of standards in all assays. For instance, IC50 of EEAC and WEAC for scavenging DPPH were 19.8 and 69.3 mg/mL, respectively. We also assessed the inhibitory effects of EEAC and WEAC against acetylcholinesterase (AChE), a-amylase and a-glycosidase, which are associated with Alzheimer's disease and diabetes. The ethanol extract inhibited these enzymes with IC50 of 1.137, 0.172 and 0.511 mg/mL, respectively. The results of liquid chromatography-high resolution mass spectrometry (LC-HRMS) revealed that (-)-epigallocatechin was the main phenolic compound in both EEAC and WEAC. Molecular docking analysis revealed binding interactions between the main phenolic compounds (-)-epigallocatechin gallate, (-)-epigallocatechin, fumaric acid, hyperoside, and myricetin with AChE, a-amylase and a-glycosidase enzymes.(c) 2022 Published by Elsevier B.V. on behalf of SAAB.
Sage (Salvia Macrochlamys): Lc-Hrms for Phytochemical Analysis, Cytotoxicity, Enzyme Inhibition, Antioxidant Activity, Molecular Docking and Molecular Dynamics Simulations
(Taylor & Francis Ltd, 2024) Kiziltas, Hatice; Ortaakarsu, Ahmet Bugra; Bingol, Zeynebe; Goren, Ahmet Ceyhan; Pinar, Suleyman Mesut; Gulcin, Ilhami
This study primarily aims to evaluate the phenolic content and biological activity of Salvia macrochlamys both in vitro and in silico. The antioxidant activities of Salvia macrochlamys were assessed using various methods. Additionally, cytotoxic effects and the alpha-amylase, alpha-glucosidase, and acetylcholinesterase (AChE) enzyme inhibitory abilities of ethanolic extract of the aerial parts of Salvia macrochlamys (EESM) were evaluated. Then, the molecular docking interactions and molecular dynamic calculations of EESM against alpha-amylase, alpha-glycosidase, and AChE enzymes were carried out. High antioxidant activity was determined in both ethanol and water extracts. The IC50 values of EESM against AChE (EC 3.1.1.7), alpha-glycosidase (E.C.3.2.1.20), and alpha-amylase (E.C.3.2.1.1) were determined as 1.622 mu g/mL, 0.530 mu g/mL, and 1.320 mu g/mL, respectively. High enzyme-inhibiting properties of EESM were determined in also in silico. Rosmarinic acid was identified as one of the most abundant phenolic compounds in both EESM and water extract of the aerial parts of Salvia macrochlamys (WESM) (3919.65 mg/kg and 10520.77 mg/kg, respectively). Their high level of flavonoids and phenolics, as well as the potent antioxidant and enzyme-inhibitory properties displayed by extracts, may contribute to broadening the use of Salvia macrochlamys in both traditional and modern therapeutic applications.