Alchemilla pseudocartalinica Juz: Phytochemical Screening by UPLC-MS/MS, Molecular Docking, Anti-oxidant, Anti-diabetic, Anti-glaucoma, and Anti-Alzheimer Effects

Records of Natural Products, Journal Year: 2024, Volume and Issue: 2, P. 251 - 272

Published: March 9, 2024

Alchemilla species (Rosaceae) are popularly known as 'Lady's Mantle, Lion's claw' and used for medicinal purposes diuretic, laxative, tonic, wound healing agents.Bioactivities phenolic content of pseudocartalinica Juz.species have yet to be investigated.Our research focused on assessing the antioxidant characteristics A. methanol (MEAP) water extracts (WEAP), well their inhibitory effects acetylcholinesterase (AChE), α-glycosidase (α-gly), human carbonic anhydrase II (hCA II) enzymes.Additionally, we conducted chemical characterization using UPLC-MS/MS investigated correlation between major compounds enzymes through molecular docking analysis.To assess activities MEAP WEAP, six test systems were employed, including DPPH, ABTS, DMPD, FRAP, CUPRAC, Fe 3+ reducing assays.The outcome showed that extract plant generally has stronger activity.In addition, analysis indicated, miquelianin (44.095 mg/g), quinic acid (17.054 ellagic (6.492 mg/g) significant in extract.A study revealed a affinity binding hCAII enzyme acid, miquelianin, AChE/α-gly enzymes. pseudocatalinica high activity good inhibition effect against AChE, α-glycosidase, hCA

Language: Английский

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Integrating LC–MS/MS and In Silico Methods to Uncover Bioactive Compounds with Lipase Inhibitory Potential in the Antarctic Moss Warnstorfia fontinaliopsis

Applied Biochemistry and Biotechnology, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 10, 2025

Antarctic organisms are known for producing unique secondary metabolites, and this study specifically focuses on the less-explored metabolites of moss Warnstorfia fontinaliopsis. To evaluate their potential bioactivity, we extracted using four different solvents identified significant lipase inhibitory activity in methanol extract. Non-targeted metabolomic analysis liquid chromatography-tandem mass spectrometry (LC–MS/MS) extract predicted presence 12 compounds, including several not previously reported mosses. gain insights into enzyme activity, binding affinities these candidate compounds to were evaluated through silico molecular docking. Further validation by dynamics (MD) simulations revealed that hyocholic acid pheophorbide A form stable complexes with human pancreatic (HPL). Based results, targeted fractionation experiments performed, yielding eight fractions. Among these, Fractions 4 6, which assumed contain those exhibited higher compared crude Additionally, pharmacokinetic properties analyzed SwissADME Molinspiration calculations, suggesting as drug candidates. This establishes a promising methodology identifying rare bioactive low abundance underexplored natural resources combining LC–MS/MS These findings also provide new chemical ecology mosses applications pharmaceutical development.

Language: Английский

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Phytochemical Properties and Bioactive Potential of Various Astragalus spp. from Turkey

Food Bioscience, Journal Year: 2025, Volume and Issue: unknown, P. 105901 - 105901

Published: Jan. 1, 2025

Language: Английский

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Phytochemical Investigation and Antioxidant Activity of Millettia extensa Against Mushroom Tyrosinase Enzyme: Molecular Insight into Skin Care Products

Natural Product Communications, Journal Year: 2025, Volume and Issue: 20(1)

Published: Jan. 1, 2025

Background Crateva unilocularis, Millettia extensa, and Plumbago zeylanica are commonly used traditional medicinal plants in Nepal for treating various skin ailments. Objectives The ethanol extracts of these were analyzed qualitative quantitative phytochemical content, antioxidant potential, anti-tyrosinase activity. Methods Folin-Ciocalteu technique was to measure the total phenolic aluminum chloride method assess flavonoid content.In vitro activity evaluated via 2,2- diphenyl-1-picrylhyrazyl (DPPH), nitric oxide (NO), hydrogen peroxide (H 2 O ) assays. A mushroom tyrosinase inhibition assay employed Molecular docking performed using enzyme (PDB ID: 2Y9X) five selected phytoconstituents extensa. Results ethanolic extract extensa leaves exhibited high concentrations compound (273.85 ± 4.05 mg GAE/g dry weight) flavonoids (1787.35 0.22 QE/g weight). roots showed highest levels DPPH NO radical-scavenging activities, with percentages 95.83% 43.83%, respectively. Similarly, stem bark unilocularis notable H radical scavenging (67.81%). root demonstrated most potent (99.31 0.16), comparable standard drug Kojic acid (99.56 0.08). corroborates activity, isoauriculatin auriculatin demonstrating binding affinities −9.9 −9.7 kcal/mol, respectively, compared (−5.6 kcal/mol). Conclusion These findings highlight significant inhibitory potential bark, suggesting further exploration its cosmetic application safety evaluation.

Language: Английский

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Therapeutic potential of Laurus nobilis extract by experimental and computational approaches: phenolic content and bioactivities for antioxidant, antidiabetic, and anticholinergic properties

Frontiers in Chemistry, Journal Year: 2025, Volume and Issue: 13

Published: Feb. 19, 2025

Laurus nobilis (LN), has traditional medicinal uses, and this study investigates its therapeutic potential by focusing on phenolic content bioactivities such as antioxidant, antidiabetic, anticholinergic properties. Phenolic compounds play key roles in reducing oxidative stress modulating enzymatic activities, relevant to metabolic neurodegenerative disorders. LN leaf extracts were prepared via ethanol maceration, followed filtration concentration. was analyzed using LC-MS/MS. Antioxidant activity assessed through ferric thiocyanate, DPPH, ABTS, FRAP assays. Enzyme inhibition assays targeted AChE, BChE, α-GLY, with IC50 values from dose-response curves. In silico analyses conducted molecular docking techniques predict the binding mechanisms of identified active sites target enzymes, evaluating affinities interaction profiles. Vanillic acid catechin hydrate most abundant phenolics. extract showed strong lipid peroxidation (50.53%) compared Trolox (28.33%) α-tocopherol (37.79%). Moderate radical scavenging metal reduction potentials observed. 2.57 µg/L for 3.78 4.65 indicating notable bioactivity. studies confirmed phenolics enzymes. demonstrated promising attributed high content. results suggest managing findings support these bioactivities, highlighting LN's potential.

Language: Английский

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Physicochemical Properties and Antioxidant Capacity of Honey from Honey Bee (Apis mellifera): Spectrophotometric and Electrochemical Assay

ACS Omega, Journal Year: 2025, Volume and Issue: 10(10), P. 10653 - 10661

Published: March 8, 2025

Quality parameters, physical–chemical characteristics, and antioxidant capacity are important to ensure the successful commercialization of honey. On other hand, presence antioxidants in foods gives them greater added value. Thus, based on study total (TAC), along with analysis phenolic compounds (TPC) flavonoid (TFC), it is possible classify honey according its composition. First, all samples were evaluated their polinic origin (melissopalynological analysis). The TAC was determined using both spectrophotometric methods (ferric reducing power, FRAP) electrochemical (ceric capacity, CRAC). All types exhibited significant values for TAC, TPC, TFC. To assess quality, methodologies such as moisture content, diastase activity, hydroxymethylfurfural (HMF), acidity (TA), water activity (Aw) employed. Among analyzed samples, 5 2 showed high levels (20.10–20.87%), TA (65.12–65.49 mequiv kg–1), HMF (>60 mg surpassing limits set by Brazilian legislation. This indicates a potentially longer shelf life or possibility adulteration. Furthermore, concluded that color may interfere FRAP (r = 0.837). In this regard, CRAC assay presents new alternative evaluating bee products.

Language: Английский

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Phytochemical profile and bioactive properties of sage ( Salvia fruticosa ) and thyme ( Thymus vulgaris ) extracts

International Journal of Food Properties, Journal Year: 2025, Volume and Issue: 28(1)

Published: March 19, 2025

We examined the phytochemical content, antioxidant, antimicrobial, anticholinergic, antidiabetic, and antiglaucoma properties of ethanol water extracts from Salvia fruticosa (SF) Thymus vulgaris (TV). Extracts were analyzed using four antioxidant assays, while enzyme inhibition was tested against α-amylase, acetylcholinesterase (AChE), butyrylcholinesterase (BChE), human carbonic anhydrase II (hCA II). Antimicrobial activity evaluated pan-resistant bacterial strains. LC-MS/MS identified rosmarinic acid as major compound (27.61 34.35 mg/L in TV SF, respectively). Ethanolic had higher phenolic content (181.0 ± 7.86 107.0 5.78 µg GAE/mg for SF TV, showed stronger metal-reducing capacity, superior radical scavenging ability, judging by IC50 values (13.68 1.18 μg/mL), defined concentration that reduces 50% activity. The highest observed hCA (SF ethanolic extract, 14.51 4.07 AChE aqueous 16.51 3.77 BChE (TV 10.60 4.93 μg/mL). extract inhibited growth Staphylococcus aureus Enterococcus faecalis (11 mm at 60 These findings highlight potential sources natural antioxidants, inhibitors, antimicrobials pharmaceutical food formulations.

Language: Английский

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Antioxidants: a comprehensive review

Archives of Toxicology, Journal Year: 2025, Volume and Issue: unknown

Published: April 15, 2025

Language: Английский

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Quinoline- and Isoindoline-Integrated Polycyclic Compounds as Antioxidant, and Antidiabetic Agents Targeting the Dual Inhibition of α-Glycosidase and α-Amylase Enzymes

Pharmaceuticals, Journal Year: 2023, Volume and Issue: 16(9), P. 1222 - 1222

Published: Aug. 30, 2023

Novel analogs of quinoline and isoindoline containing various heterocycles, such as tetrazole, triazole, pyrazole, pyridine, were synthesized characterized using FT-IR, NMR, mass spectroscopy, their antioxidant antidiabetic activities investigated. The previously compound 1 was utilized in conjugation with ketone-bearing tetrazole isoindoline-1,3-dione to synthesize Schiff’s bases 2 3. Furthermore, hydrazide treated aryledines provide pyrazoles 4a–c. Compound 5 obtained by treating potassium thiocyanate, which then cyclized a basic solution afford triazole 6. On the other hand, pyridine derivatives 7a–d 8a–d 2-(4-acetylphenyl)isoindoline-1,3-dione via one-pot condensation reaction aryl aldehydes active methylene compounds. From studies, 7d showed significant activity an EC50 = 0.65, 0.52, 0.93 mM free radical scavenging assays (DPPH, ABTS, superoxide anion radicals). It also displayed noteworthy inhibitory against both enzymes α-glycosidase (IC50: 0.07 mM) α-amylase (0.21 compared acarbose (0.09 0.25 for α-amylase), higher than During silico assays, exhibited favorable binding affinities towards (−10.9 kcal/mol) (−9.0 (−8.6 kcal/mol −6.0 α-amylase). stability demonstrated molecular dynamics simulations estimations energy throughout simulation session (100 ns).

Language: Английский

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3D-QSAR-based pharmacophore modelling of quinazoline derivatives for the identification of acetylcholinesterase inhibitors through virtual screening, molecular docking, molecular dynamics and DFT studies

Journal of Biomolecular Structure and Dynamics, Journal Year: 2024, Volume and Issue: unknown, P. 1 - 15

Published: Feb. 8, 2024

Alzheimer's disease (AD) is a progressive neurological disorder responsible for the cognitive dysfunction and impairment in patients. Acetylcholinesterase inhibitors (AChEIs) are used to treat AD however, these only provided symptomatic relief more efficient drug molecules desired effective treatment of disease. In this article, ligand-based drug-designing strategy was develop validate field-based 3D-QSAR pharmacophore model on quinazoline-based AChEIs reported literature. The validated (AAAHR_1) as prefilter screen an ASINEX database via virtual screening workflow (VSW). hits generated were subjected MM-GBSA identify potential top three scoring (BAS 05264565, LEG 12727144 SYN 22339886) evaluated thermodynamic stability at target site using molecular dynamic simulations. Additionally, DFT study performed predict reactivity lead towards acetylcholinesterase (AChE). Thus, by utilising various computational tools, identified potent that can be developed candidates AD.

Language: Английский

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