Rapidly and accurately screening histidine decarboxylase inhibitors from Radix Paeoniae alba using ultrafiltration–high performance liquid chromatography/mass spectrometry combined with enzyme channel blocking and directional enrichment technique

Hu, Guizhou; Wang, Lu; Li, Xin-Qi; Jin, Qi

doi:10.1016/j.chroma.2023.463859

Cited by 5 publications

(2 citation statements)

References 41 publications

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“…In this study, a multi‐target approach was used to screen active substances. First, we screened target compounds by ultrafiltration, which was expected to screen out potential XODIs 10,11 . Second, as the kinetics of enzyme reactions is the main study of the rate of enzyme‐catalytic reactions and the various factors that influence the rate, 12 the reaction rates catalysed by the enzyme and the structure–activity relationship of the various factors that influence the reaction rates were studied by in vitro enzyme kinetics tests based on the characteristics of the enzyme structure, and the types and mechanisms of inhibition were discussed.…”

Section: Introductionmentioning

confidence: 99%

Rapid screening, isolation, and activity evaluation of potential xanthine oxidase inhibitors in Polyporus umbellatus and mechanism of action in the treatment of gout

Liu,

Zhuang,

et al. 2023

Phytochemical Analysis

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IntroductionStudies show that Polyporus umbellatus has some pharmacological effects in enhancing immunity and against gout.ObjectivesWe aimed to establish new techniques for extraction, biological activity screening, and preparation of xanthine oxidase inhibitors (XODIs) from P. umbellatus.MethodsFirst, the extraction of P. umbellatus was investigated using the back propagation (BP) neural network genetic algorithm mathematical regression model, and the extraction variables were optimised to maximise P. umbellatus yield. Second, XODIs were rapidly screened using ultrafiltration, and the change of XOD activity was tested by enzymatic reaction kinetics experiment to reflect the inhibitory effect of active compounds on XOD. Meanwhile, the potential anti‐gout effects of the obtained active substances were verified using molecular docking, molecular dynamics simulations, and network pharmacology analysis. Finally, with activity screening as guide, a high‐speed countercurrent chromatography (HSCCC) method combined with consecutive injection and two‐phase solvent system preparation using the UNIFAC mathematical model was successfully developed for separation and purification of XODIs, and the XODIs were identified using MS and NMR.ResultsThe results verified that polyporusterone A, polyporusterone B, ergosta‐4,6,8(14),22‐tetraen‐3‐one, and ergosta‐7,22‐dien‐3‐one of P. umbellatus exhibited high biological affinity towards XOD. Their structures have been further identified by NMR, indicating that the method is effective and applicable for rapid screening and identification of XODIs.ConclusionThis study provides new ideas for the search for natural XODIs active ingredients, and the study provide valuable support for the further development of functional foods with potential therapeutic benefits.

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Section: Introductionmentioning

confidence: 99%

Rapid screening, isolation, and activity evaluation of potential xanthine oxidase inhibitors in Polyporus umbellatus and mechanism of action in the treatment of gout

Liu,

Zhuang,

et al. 2023

Phytochemical Analysis

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“…Currently, natural phenolic acids and flavonoids, such as curcumin, 6′- O -caffeoylarbutin, and dihydrochalcone, are important natural antioxidants, which could effectively improve the activities of endogenous antioxidant enzymes to suppress ROS-induced oxidative stress [ 10 , 11 , 12 ]. Furthermore, some studies have focused on the enrichment or purification of natural antioxidants from teas, flowers, fruits, and even medicinal and edible plants [ 13 , 14 ]. As reported elsewhere, physical and chemical properties, including polarity, solubility, ionization, and so on, are vital factors in enrichment or purification techniques [ 15 , 16 ].…”

Section: Introductionmentioning

confidence: 99%

A Comparative Analysis of Chemical Constituents and Antioxidant Effects of Dendrobium fimbriatum Hook Fractions with Different Polarities

Zhao

Liu

et al. 2023

IJMS

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The aim of this study was to investigate the chemical composition and antioxidant capacity of various polar fractions obtained from Dendrobium fimbriatum Hook (DH). First, a 90% ethanol-aqueous extract of DH (CF) was subjected to sequential fractionation using different organic solvents, resulting in the isolation of a methylene chloride fraction (DF), an ethyl acetate fraction (EF), an n-butanol fraction (BF), and a remaining water fraction (WF) after condensation. Additionally, the CF was also subjected to column chromatography via a D101 macroreticular resin column, eluted with ethanol-aqueous solution to yield six fractions (0%, 20%, 40%, 60%, 80%, and 100%). UPLC-Q-Exactive Orbitrap-MS/MS analysis identified a total of 47 chemical compounds from these polar fractions, including fatty acids, amino acids, phenolic acids, flavonoids, organic heterocyclic molecules, and aromatic compounds. Moreover, DF, EF, and the 60%, 80%, and 100% ethanol-aqueous fractions had higher total phenol content (TPC) and total flavonoid content (TFC) values and greater 2,2′-azinobis (3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt (ABTS-) and 1,1-diphenyl-2-picrylhydrazyl (DPPH)-scavenging abilities. In H2O2-induced HepG2 cells, the aforementioned fractions could increase the activities of antioxidative enzymes NAD(P)H: quinone oxidoreductase 1 (NQO1), superoxide dismutase (SOD), heme oxygenase-1 (HO-1) and catalase (CAT), stimulate glutathione (GSH) synthesis by increasing the activities of glutamic acid cysteine ligase (GCL) and glutathione synthetase (GS), regulate GSH metabolism by increasing glutathione peroxidase (GSH-Px) and glutathione reductase (GR) activities, and reduce levels of reactive oxygen species (ROS) and malondialdehyde (MDA). Furthermore, the antioxidative stress effect of the DH fractions was found to be positively correlated with the activation of nuclear factor-erythroid 2-related factor 2 (Nrf2) protein and the presence of antioxidative chemical constituents. In conclusion, this study highlights the efficacy of both liquid–liquid extraction and macroporous resin purification techniques in the enrichment of bioactive compounds from natural food resources. The comprehensive analysis of chemical constituents and antioxidant effects of different polar fractions from Dendrobium fimbriatum Hook contributes to the understanding of its potential application in functional foods and nutraceuticals.

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Rapidly screening of pancreatic lipase inhibitors from Clematis tangutica using affinity ultrafiltration‐HPLC‐QTOFMS technique combined with targeted separation, in vitro validation, and molecular docking

Wei,

Chen,

Song

et al. 2024

Phytochemical Analysis

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IntroductionScreening of novel pancreatic lipase inhibitors from complex natural products is a meaningful task.ObjectivesThrough accurately screening and separating pancreatic lipase inhibitors from Clematis tangutica (C. tangutica), to discover new leading compounds for slimming and accelerate the development and utilization of Tibetan medicine resources.MethodsAn integrated strategy that combines affinity ultrafiltration and high‐performance liquid chromatography‐quadrupole time‐of‐flight mass spectrometry (AU‐HPLC‐QTOFMS), targeted separation, in vitro validation, and molecular docking was developed to screen pancreatic lipase inhibitors from C. tangutica. The AU‐HPLC‐QTOFMS technique was performed to fish for the potential active substances. Macroporous resin, preparative liquid chromatography, and high‐speed countercurrent chromatography were implemented for the accurate and targeted separation of active compounds. The inhibitory activities of target compounds to pancreatic lipase were detected by the inhibition experiments in vitro. The binding affinities and binding sites were analyzed using molecular docking.ResultsA total of eleven kinds of pancreatic lipase inhibitory substances were screened from C. tangutica. Seven triterpenoid saponins were screened for the first time as lipase inhibitors and successfully prepared with purities higher than 97%. Tanguticoside B, clematangoticoside J, hederoside H1, and rutin showed stronger inhibitory effects with IC50 values of 1.539 ± 0.048, 1.661 ± 0.092, 1.793 ± 0.069, and 1.792 ± 0.094 mmol/l. Moreover, they have the lowest ΔG values of −10.84, −9.97, −10.87, and −9.39 kcal/mol to pancreatic lipase.ConclusionThe integrated strategy using AU‐HPLC‐QTOFMS, targeted separation, in vitro validation, and molecular docking was feasible for rapidly screening and directionally isolating pancreatic lipase inhibitors from C. tangutica.

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Rapidly and accurately screening histidine decarboxylase inhibitors from Radix Paeoniae alba using ultrafiltration–high performance liquid chromatography/mass spectrometry combined with enzyme channel blocking and directional enrichment technique

Cited by 5 publications

References 41 publications

Rapid screening, isolation, and activity evaluation of potential xanthine oxidase inhibitors in Polyporus umbellatus and mechanism of action in the treatment of gout

Rapid screening, isolation, and activity evaluation of potential xanthine oxidase inhibitors in Polyporus umbellatus and mechanism of action in the treatment of gout

A Comparative Analysis of Chemical Constituents and Antioxidant Effects of Dendrobium fimbriatum Hook Fractions with Different Polarities

Rapidly screening of pancreatic lipase inhibitors from Clematis tangutica using affinity ultrafiltration‐HPLC‐QTOFMS technique combined with targeted separation, in vitro validation, and molecular docking

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