Ligand fishing of monoamine oxidase B inhibitors from <scp><i>Platycodon grandiflorus</i></scp> (Jacq.) A.DC. roots by the enzyme functionalised magnetic nanoparticles

Yuan, Hao; Bai, Xiao-Bo; Hu, Yi‐Kao; Fan, Wenqin; Ayeni, Emmanuel Ayodeji; Liao, Xun

doi:10.1002/pca.3180

Cited by 4 publications

(4 citation statements)

References 44 publications

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“…The S0 showed several peaks, while the S5 showed only two corresponding major ligands in the chromatogram ( Figure 2 ). Similar procedures and protocols have been successfully utilized on several MNP ligand fishing techniques, thus confirming the reliability of the magnetic nanoparticle solid phase extraction [ 41 , 42 ]. Furthermore, using MNPs@COOH as the blank control showed that no compound was observed in the corresponding HPLC-UV, confirming a non-specific binding on MNPs@MAO-B.…”

Section: Resultsmentioning

confidence: 74%

Screening of Monoamine Oxidase Inhibitors from Seeds of Nigella glandulifera Freyn et Sint. by Ligand Fishing and Their Neuroprotective Activity

Ayeni

Ma²,

et al. 2023

Plants

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Nigella glandulifera is a traditional medicinal plant used to treat seizures, insomnia, and mental disorders among the Tibetan and Xinjiang people of China. Recent pharmacological research indicates that the seeds of this plant have a neuroprotective effect; however, the chemical components responsible for this effect are unknown. Monoamine oxidase B (MAO-B) has been recognized as a target for developing anti-Parkinson’s disease drugs. In this work, MAO-B functionalized magnetic nanoparticles were used to enrich the enzyme’s ligands in extracts of N. glandulifera seeds for rapid screening of MAO-B inhibitors coupled with HPLC-MS. Tauroside E and thymoquinone were found to inhibit the enzyme with IC50 values of 35.85 μM and 25.54 μM, respectively. Both compounds exhibited neuroprotective effects on 6-OHDA-induced PC-12 cells by increasing the cell viability to 52% and 58%, respectively, compared to 50% of the injured cells. Finally, molecular docking indicated strong interactions of both inhibitors with the enzyme. This work shows that MAO-B functionalized magnetic nanoparticles are effective for rapid screening of anti-PD inhibitors from complex herbal mixtures and, at the same time, shows the promising potential of this plant’s seeds in developing anti-PD drugs.

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Section: Resultsmentioning

confidence: 74%

Screening of Monoamine Oxidase Inhibitors from Seeds of Nigella glandulifera Freyn et Sint. by Ligand Fishing and Their Neuroprotective Activity

Ayeni

Ma²,

et al. 2023

Plants

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“…To make matters worse, many trace‐active compounds may be lost in the separation process. Currently, several rapid screening methods of enzyme inhibitors have been proposed, such as bio‐affinity chromatography and affinity ultrafiltration 8,9 . However, bio‐affinity chromatography could lead to the omission of active substances, short lifespan of chromatographic columns and false positives/negatives 10 .…”

Section: Introductionmentioning

confidence: 99%

“…Currently, several rapid screening methods of enzyme inhibitors have been proposed, such as bio-affinity chromatography and affinity ultrafiltration. 8,9 However, bio-affinity chromatography could lead to the omission of active substances, short lifespan of chromatographic columns and false positives/negatives. 10 Affinity ultrafiltration has notable drawbacks of low resolution and potential false-positive results.…”

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confidence: 99%

Integrated strategy for the screening of cyclooxygenase‐2 inhibitors from triterpenoid saponins in Clematis tangutica

Wei

Chen

Wang

et al. 2023

Phytochemical Analysis

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Introduction: Screening of novel cyclooxygenase-2 (COX-2) inhibitors from complex natural products is not an easy task.Objectives: To establish an efficient and feasible strategy for screening COX-2 inhibitors from triterpenoid saponins (TPSs) in Clematis tangutica.Methods: Taking TPSs in C. tangutica as example, an optimized macroporous resin (MR) method was established for the enrichment of TPSs. High-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (HPLC-QTOFMS) was performed to establish the phytochemical profiling of TPSs. Molecular docking was performed to predict the ligand-target interactions and discover the active substances. Chemometric techniques were performed to visualize the structure-effect relationships. High-speed countercurrent chromatography and preparative HPLC were performed to prepare the targets. In vitro activity experiment of COX-2 was performed to verify the virtual screening results.Results: TPSs in C. tangutica were well enriched with the recovery rate of (80.22 ± 2.37)%. Thirty-four kinds of TPSs of oleanane type were deduced by HPLC-QTOFMS. Five TPSs of clematangoside C, clematangoside D, clematangoticoside J, hederoside H 1 , and hederasaponin B showed stronger binding abilities with COX-2.The structure with more sugar groups at C-28 may be more conducive to the combination with COX-2. Targets were prepared with purities all above 98%. The IC 50

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“…A.DC. [ 29 ]. Holger Stark et al found that neuroprotectant ASS234 could inhibit the neurotransmitter-catabolizing enzymes (ChEs and MAOs) alongside H3R affinity for neurodegenerative diseases, including AD and Parkinson’s disease [ 30 ].…”

Section: Introductionmentioning

confidence: 99%

NMR-Based Metabolomics to Analyze the Effects of a Series of Monoamine Oxidases-B Inhibitors on U251 Cells

Guo

Zhang

et al. 2023

Biomolecules

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Alzheimer’s disease (AD) is a typical progressive neurodegenerative disorder, and with multiple possible pathogenesis. Among them, coumarin derivatives could be used as potential drugs as monoamine oxidase-B (MAO-B) inhibitors. Our lab has designed and synthesized coumarin derivatives based on MAO-B. In this study, we used nuclear magnetic resonance (NMR)-based metabolomics to accelerate the pharmacodynamic evaluation of candidate drugs for coumarin derivative research and development. We detailed alterations in the metabolic profiles of nerve cells with various coumarin derivatives. In total, we identified 58 metabolites and calculated their relative concentrations in U251 cells. In the meantime, the outcomes of multivariate statistical analysis showed that when twelve coumarin compounds were treated with U251cells, the metabolic phenotypes were distinct. In the treatment of different coumarin derivatives, there several metabolic pathways changed, including aminoacyl-tRNA biosynthesis, D-glutamine and D-glutamate metabolism, glycine, serine and threonine metabolism, taurine and hypotaurine metabolism, arginine biosynthesis, alanine, aspartate and glutamate metabolism, phenylalanine, tyrosine and tryptophan biosynthesis, glutathione metabolism and valine, leucine and isoleucine biosynthesis. Our work documented how our coumarin derivatives affected the metabolic phenotype of nerve cells in vitro. We believe that these NMR-based metabolomics might accelerate the process of drug research in vitro and in vivo.

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Ligand fishing of monoamine oxidase B inhibitors from Platycodon grandiflorus (Jacq.) A.DC. roots by the enzyme functionalised magnetic nanoparticles

Cited by 4 publications

References 44 publications

Screening of Monoamine Oxidase Inhibitors from Seeds of Nigella glandulifera Freyn et Sint. by Ligand Fishing and Their Neuroprotective Activity

Screening of Monoamine Oxidase Inhibitors from Seeds of Nigella glandulifera Freyn et Sint. by Ligand Fishing and Their Neuroprotective Activity

Integrated strategy for the screening of cyclooxygenase‐2 inhibitors from triterpenoid saponins in Clematis tangutica

NMR-Based Metabolomics to Analyze the Effects of a Series of Monoamine Oxidases-B Inhibitors on U251 Cells

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