Incorporating the HPLC‐ESI‐Q‐TOF‐MS profiles with the biochemical properties of eight Salvia species

eFood, Год журнала: 2025, Номер 6(1)

Опубликована: Янв. 2, 2025

Abstract Salvia , a widely recognized genus globally esteemed for its traditional and medicinal applications, prompted our investigation into the methanol water extracts of eight species native to Turkey. These included S. aucheri, candidissima, divaricata, virgata, multicaulis, palestina, trichoclada cerino‐pruinosa . Our study aimed assess their biological properties chemical composition. Utilizing HPLC‐ESI‐Q‐TOF‐MS, we identified constituents in extracts, while antioxidant (radical quenching, reducing power, metal chelating) enzyme inhibitory (amylase, glucosidase, tyrosinase, cholinesterase) activities were evaluated activities. One hundred thirty‐one compounds characterized tested extracts. Although many belonging different families identified, main all rosmarinic sagerinic acids, along with several salvianolic acid isomers. Notably, displayed superior overall, exhibiting highest activity among them, except chelating. Similar test results, more active than inhibition tests. Multivariate analysis further highlighted distinctiveness extract In conclusion, findings underscore biopharmaceutical potential species, suggesting significance as sources bioactive agents health‐promoting applications.

Язык: Английский

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In vitro bioactivities and in silico enzyme interactions of abietatrien-3 β -ol by bio-guided isolation from Nepeta italica subsp. italica

Journal of Biomolecular Structure and Dynamics, Год журнала: 2024, Номер unknown, С. 1 - 24

Опубликована: Март 5, 2024

Abietatrien-3β-ol (ATO) was isolated from the aerial part of Nepeta italica subsp. methanol-chloroform extract and studied antioxidant, enzyme inhibition, DNA protection activities. The plant fractionated by silica gel column chromatography using four different solvents. After active chloroform fraction divided into six subfractions under guidance bioactivity, ATO fourth subfraction. molecular structure determined NMR techniques confirmed with literature data. In antioxidant test, showed excellent DPPH˙ (IC50-1.18 ± 0.11 µg/mL), ABTS˙+ (IC50-1.82 0.00 metal chelating (IC50-2.90 0.05 superoxide anion scavenging (IC50-11.59 0.27 reducing power (A0.5-21.09 1.42 H2O2 (A0.5-57.81 4.54 phosphomolybdenum (A0.5-124.23 0.69 µg/mL) activities when compared to standards. potential also found be strong in Form I (47.89%) II (4.56%) formations. had high inhibitions AChE (IC50-1.25 0.04 BChE (IC50-1.26 0.03 lipase (IC50-7.58 tyrosinase (IC50-9.60 µg/mL). docking studies, a binding affinity α-amylase (−8.80 kcal/mol), (−8.10 urease kcal/mol) enzymes. addition, detailing interaction key enzymes that give best interactions through dynamics performing ADMET DFT calculations, it tried explain could suitable drug candidate. light these is thought an effective inhibitor protective molecule against oxidation its properties.

Язык: Английский

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From small‐scale studies to an encompassing view: Inhibiting inflammation and clinically relevant enzymes with various extracts of Primula vulgaris using in vitro and in silico techniques

Food Frontiers, Год журнала: 2024, Номер unknown

Опубликована: Сен. 30, 2024

Abstract The genus Primula holds great importance as a source of traditional remedies in various folk medicine systems. In the present study, we investigated chemical composition and biological properties different extracts (ethyl acetate, ethanol, ethanol/water, water) aerial parts rhizomes vulgaris . To determine profile, were analyzed using ultrahigh performance liquid chromatography‐high‐resolution mass spectrometry (UHPLC‐HRMS) technique flavonoids major group this profile. antioxidant capacity was demonstrated by vitro tests general ethanol/water extract found to be most potent. Enzyme inhibition studied against enzymes ethanol more active than others. assess anti‐inflammatory potential at molecular level, human dermal fibroblasts (HDF) treated with lipopolysaccharide (LPS). experiments showed that levels nuclear factor kappa B (NFKB), receptor for advanced glycation endproducts (RAGE), activator protein‐1 (AP‐1), interleukin 6 (IL‐6), 17 (IL‐17) tumor necrosis (TNF)‐alpha significantly reduced after treatment tested extracts. addition, an inhibitory effect on collagenase, elastase, hyaluronidase, which are involved inflammatory process destabilization extracellular matrix (ECM). P. has been observed modulate metalloproteinase (MMP) synthesis decreasing concentration cellular reactive oxygen species (ROS) during LPS‐induced inflammation. This study also examined binding dynamic behavior proteins associated skin infections ligands derived from Simulations AutoDock Vina V1.1.2 GROMACS 2023.1 isoquercetin particular superior interactions hyaluronidase. These findings important development therapeutic strategies health infection control. summary, can considered natural bioactive compounds effective health‐promoting applications nutraceuticals, pharmaceuticals, cosmetics

Язык: Английский

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Metabolomics-guided discrimination of constituents in five commercial apple (Malus × domestica Borkh.) cultivars: Assessment of their antioxidant, neuroprotective, and antidiabetic activities for potential use as functional food

Food Bioscience, Год журнала: 2024, Номер 61, С. 104708 - 104708

Опубликована: Июль 6, 2024

Язык: Английский

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The Anthelmintic Activity of Nepeta racemosa Lam. Against Gastrointestinal Nematodes of Sheep: Rosmarinic Acid Quantification and In Silico Tubulin-Binding Studies

Pathogens, Год журнала: 2025, Номер 14(1), С. 77 - 77

Опубликована: Янв. 15, 2025

Gastrointestinal nematodes (GINs) inflict significant economic losses on sheep and goat farming globally due to reduced productivity the development of anthelmintic resistance. Sustainable control strategies are urgently needed including exploration medicinal plants as safer alternatives chemical anthelmintics. This genus is used for anti-inflammatory, antioxidant, antimicrobial activities. In this study, we aimed evaluate activities Nepeta racemosa Lam. MeOH extract, n-hexane, dichloromethane (DCM), ethyl acetate (EtOAc), n-buthanol (n-BuOH) aqueous (H2O) subextracts, quantify rosmarinic acid in active extract by HPLC method, perform silico molecular docking studies examine its binding interactions with tubulin. The activity plant extracts gastrointestinal nematode eggs larvae (L3) was assessed using vitro test methods such egg hatch assay larval motility assay, conducted over a 24 h period (1, 2, 3, 4, 6, 8, 24). All exhibited 100% effectiveness inhibition regardless concentration (50–1.5625 mg/mL). EtOAc subextract shows highest at 79.66%, followed 74.00%, water 64.00%, n-hexane 67.00%, DCM 61.00%, lowest observed n-BuOH 51.66% assay. major compound most N. racemosa, determined amount 14.50 mg/100 mg dry extract. found be 0.21 n-Hexane, DCM, n-BuOH, H2O extracts’ content lower than LOQ value. As tubulin plays an important role mechanism anthelmintics, (NR-EtOAc) docked onto colchicine-binding site (5OV7) protein. Rosmarinic showed similar spectrum drug albendazole. discovery low-cost low-toxicity compounds very important.

Язык: Английский

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Biomarkers of heavy metals pollution in mangrove ecosystems: comparative assessment in industrial impact and conservation zones

Toxicology Reports, Год журнала: 2025, Номер unknown, С. 102011 - 102011

Опубликована: Март 1, 2025

Язык: Английский

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Assessing the Chemical Composition, Antioxidant and enzyme Inhibitory Effects of Pentapleura subulifera and Cyclotrichium glabrescens Extracts

Chemistry & Biodiversity, Год журнала: 2023, Номер 21(2)

Опубликована: Ноя. 28, 2023

Abstract The Lamiaceae family, encompassing diverse plant species, holds significant value in food, medicine, and cosmetics. Within this Pentapleura subulifera Cyclotrichium glabrescens , relatively unexplored were investigated for their chemical composition, antioxidant capacity, enzyme‐inhibiting effects. composition of hexane, methanolic, aqueous extracts from P. C. analyzed using LC‐ESI‐MS/MS the non‐polar hexane fraction was via GC‐MS. potential determined through radical scavenging, reducing power metal chelating assays. Additionally, inhibitory activity against six enzymes – acetylcholinesterase (AChE), butyrylcholinesterase (BChE), tyrosinase, amylase, glucosidase examined. extract methanolic exhibited elevated phenolic content at 129.47 mg gallic acid equivalent (GAE)/g 55.97 GAE/g, respectively. Chemical profiling constituents two species resulted identification a total twenty compounds. majority which belonged to flavonoids quinic derivatives, primarily concentrated methanol extracts. Among all assays, demonstrated superior activity, with highest recorded 404.93 trolox (TE)/g cupric capacity (CUPRAC) test. Meanwhile, AChE 2.71 galanthamine (GALAE)/g, followed by 2.41 GALAE/g. These findings unequivocally establish notable enzyme extracts, underscoring as source valuable natural antioxidants.

Язык: Английский

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Integrating chemical analysis with in vitro, in silico, and network pharmacology to discover potential functional compounds from Marrubium astracanicum subsp. macrodon

Journal of Molecular Liquids, Год журнала: 2024, Номер 398, С. 124204 - 124204

Опубликована: Фев. 9, 2024

Язык: Английский

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Patterns of Genetic Variation of Nepeta nuda L. from the Central Balkans: Understanding Drivers of Chemical Diversity

Plants, Год журнала: 2024, Номер 13(11), С. 1483 - 1483

Опубликована: Май 27, 2024

Nepeta nuda L., a notable medicinal species in the tradition of Balkan region, is rich source bioactive iridoids and phenolics previously described as high-resolution taxonomical classifiers for genus Nepeta. However, their potential investigating intra-species differentiation here first time. The aim was to recognize sources natural chemical diversity association with genetic variability both within among N. populations Central Balkans. Chemical assessed from methanol extracts essential oils through untargeted targeted metabolomics using state-of-the-art analytical tools, covering broad spectrum compounds that represent metabolome. We found chemodiversity primarily resides nuda, similar results were obtained at DNA level microsatellite markers. low studied implies metabolomic profiles may be less influenced by geographic distance variable environmental conditions Balkans, they are under pivotal control backgrounds. Screening distribution major belonging (phenolic acids flavonoids) (both aglycones glycosylated forms), populations, able guarantee mass spectrometry-based tools selection elite representative genotypes practical importance. knowledge acquired will allow us delve deeper into molecular background diversity, which course our further work.

Язык: Английский

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Antimicrobial activities and enzyme inhibition effects of Nepeta species

Current Perspectives on Medicinal and Aromatic Plants (CUPMAP), Год журнала: 2024, Номер unknown

Опубликована: Фев. 25, 2024

Various Nepeta species, widely used among the public, have valuable phytochemical contents and clinical biological activities. For this reason, our study examined enzyme inhibition antibacterial properties of methanol: chloroform (1:1) extracts six species. N. aristata showed a higher inhibitory effect than standard drug on seven eight enzymes studied. baytopii had high urease lipase. It was determined that italica inhibited other except for urease, CA, In addition, BChE is also only effective plant. nuda subsp. albiflora has inhibiting AChE, stenantha trachonitica effects tyrosinase. disc diffusion method activity, against B. cereus activity. The antimicrobial activity extract P. aerugonisa K. pneumoniae. Additionally, when looking at minimum concentration were most bacteria. This research are natural products with antioxidant

Язык: Английский

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