RAPID COMMUNICATIONS IN MASS SPECTROMETRY
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2016
·Vol. 31
·期 4
·371-380
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IF 2.226
Qingling Cui,Yingni Pan,Xiaowei Yan,Bao Qu,Xiaoqiu Liu,Wei Xiao
Rationale Isoacteoside (ISAT), a phenylethanoid glycoside that acts as the principal bioactive component in traditional Chinese medicines, possesses broad pharmacological effects such as neuroprotective, antihypertensive and hepatoprotective activities. However, its pharmaceutical development has been severely limited due to the poor oral bioavailability. It is essential and significant to investigate related hurdles leading to the poor bioavailability of isoacteoside. Methods Whole animal metabolism studies were conducted in rats, followed by metabolic mechanism including gastrointestinal stability, intestinal flora metabolism and intestinal enzyme metabolism employing the powerful method ultrahigh-performance liquid chromatography combined with quadrupole time-of-flight tandem mass spectrometry (UPLC/QTOF-MS/MS). Results A simple, rapid and sensitive method has been developed which comprehensively revealed the underlying cause of poor bioavailability of ISAT in a metabolic manner. The prototype of ISAT and its combined metabolites have not been detected in plasma. Furthermore, the residual content of the parent compound in in vitro experiments was approximately 59%, 5% and barely none in intestinal bacteria, intestinal S9 and simulated intestinal juice at 6 h, respectively. Conclusions The present work has demonstrated that the factors causing the poor bioavailability of isoacteoside should be attributed to the metabolism. In general, the metabolism that resulted from intestinal flora and intestinal enzymes were predominant reasons giving rise to the poor bioavailability of ISAT, which also suggested that metabolites might be responsible for the excellent pharmacological effect of ISAT. Copyright © 2016 John Wiley & Sons, Ltd.
研究领域:
药理学
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分析化学
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中药学
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PubMed
高影响因子
PHYTOMEDICINE
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2022
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IF 6.656
Yule Wang,Huimin Wu,Zhu Han,Hongda Sheng,Yuhan Wu,Yingchao Wang,Xinran Guo,Yan Zhu,Xuecai Li,Yi Wang
Background As a leading cause of death and disability, alternative therapies for stroke are still limited by its complicated pathophysiological manifestations. Guhong injection (GHI), consisting of safflower aqueous extract and aceglutamide, has been widely applied for the clinical treatment of cerebrovascular diseases , especially ischemic stroke and post-stroke recovery, in China. Recently, a series of studies have reported the positive effect of GHI against cerebral ischemia/reperfusion injury via targeting various molecular mechanisms. However, questions remain on whether treatment with GHI contributes to better functional recovery after stroke and if so, the potential mechanisms and active substances. Purpose The aim of this work was to explore the potential therapeutic possibilities of GHI for the neurological and behavioral recovery after stroke and to investigate the underlying molecular mechanisms as well as active substances. Methods The neural and motor deficits as well as cortical lesions after GHI treatment were investigated in a mouse model of transient ischemic stroke. Based on the substance identification of GHI, network pharmacology combined with an experimental verification method was used to systematically decipher the biological processes and signaling pathways closely related to GHI intervention in response to post-stroke functional outcomes. Subsequently, ingenuity pathway analysis (IPA) analysis was performed to determine the anti-stroke active substances targeting to the hub targets involved in the significant molecular pathways regulated by GHI treatment. Results Therapeutically, administration of GHI observably ameliorated the post-stroke recovery of neural and locomotor function as well as reduced infarct volume and histopathological damage to the cerebral cortex in subacute stroke mice. According to 26 identified or tentatively characterized substances in GHI, the compound-target-pathway network was built. Bioinformatics analysis suggested that inflammatory and apoptotic pathways were tightly associated with the anti-stroke effect of GHI. Based on protein-protein interaction network analysis, the hub targets (such as NF-κB p65, TNF-α, IL-6, IL-1β, Bax, Bcl-2, and Caspase-3) involved in inflammation and apoptosis were selected. On the one hand, immunofluorescence and ELISA results showed that GHI (10 ml/kg) treatment obviously reduced NF-κB p65 nuclear translocation as well as decreased the abnormally elevated concentrations of proinflammatory cytokines (TNF-α, IL-6, and IL-1β) in damaged cortex tissues. On the other hand, GHI (10 ml/kg) treatment significantly downregulated the number of TUNEL-positive apoptotic cells in ischemic cortex and effectively restored the abnormal expression of Bax, Bcl-2, and Caspase-3. Based on the results of IPA, hydroxysafflor yellow A, baicalin , scutellarin , gallic acid , syringin , chlorogenic acid , kaempferol , kaempferol-3-O-β-rutinoside, and rutin acted synergistically on core targets, which could be considered as the active substances of GHI. Conclusion Overall, the current findings showed that the beneficial action of GHI on improving post-stroke functional recovery of subacute stroke mice partly via the modulation of cortical inflammation and apoptosis. These findings not only provide a reliable reference for the clinical application of GHI, but also shed light on a promising alternative therapeutic strategy for ischemic stroke patients .
研究领域:
神经病学
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药理学
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分子生物学
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中风研究
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DOI
PubMed
高影响因子
ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
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2026
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IF 3.5
Liwei Jia,Yu Zhong,Baoyue Xu,Qianqian Liu,Xin Meng
Orientin inhibited xanthine oxidase with moderate in vitro potency. • Global kinetic fitting supported a mixed-type inhibition mechanism. • Fluorescence quenching verified direct XO–orientin interaction. • Molecular simulations indicated a stable XO–orientin binding mode. • C-glycosylation altered ADMET-related properties versus luteolin. Xanthine oxidase catalyzes the oxidation of hypoxanthine to xanthine. It further oxidizes xanthine to uric acid, making it an important target for treating hyperuricemia. This study focused on orientin as a model flavonoid for xanthine oxidase inhibition. We examined whether the C-glycosyl group changes its inhibitory potency, binding pattern, and predicted ADMET profile. In vitro enzyme activity was determined to be 364.79 ± 8.21 μM for the half-inhibitory concentration (IC 50 ) of orientin. Kinetic analysis suggested a mixed-type inhibition pattern. Intrinsic fluorescence quenching further supported the interaction between orientin and XO. Molecular docking and molecular dynamics simulations provided structural insight into the binding mode and stability of the orientin–XO complex. ADMET analysis indicates that orientin has promising pharmaceutical properties. These findings provide a basis for future research focusing on structural optimization, metabolic transformation, and in vivo evaluation. Download: Download high-res image (385KB) Download: Download full-size image
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PubMed
高影响因子
Advances in Bamboo Science
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2025
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IF 3.7
Danyang Liu,Hao Zhou,Changwei Zhang,Zhiwen Qi,Xianghui Kong,Chengzhang Wang
Molecularly imprinted polymers were employed for the purification and enrichment of flavonol glycosides and other flavonoid compounds to address the challenges of low content and structural similarity of polyphenolic flavonoids in plants, which render their separation very difficult. A magnetic molecularly imprinted polymer (MMIP) was synthesized via surface imprinting technology on Fe₃O₄@SiO₂ using vitexin as the template. Computational simulations identified methyl methacrylate (MMA) as the optimal functional monomer, with a template-to-monomer binding ratio of 1:6 and methanol as the most suitable porogen. Characterizations by TEM, XRD, VSM and FT-IR confirmed the successful synthesis of the MMIP under optimized conditions, which exhibited high adsorption capacity, rapid mass transfer and good regenerability. Binding experiments demonstrated that the MMIP had a maximum adsorption capacity of 16.1 mg/g. When directly applied to bamboo Leaves, the MMIP enabled the isolation of high-purity flavonoids, with HPLC successfully detecting six flavonoid compounds.
研究领域:
材料科学
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高分子化学
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分析化学
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植物化学
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纳米技术
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DOI
高影响因子
FOOD RESEARCH INTERNATIONAL
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2025
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IF 8
Zihao Chen,Min Fu,Jun Chen,Guowen Zhang,Qin Geng,Xing Hu,Yihui Wang,Ti Li,Ruihong Liang,Taotao Dai
Flavonoids offer various health benefits due to their chemical properties and non-covalent interactions with food nutrients. Despite extensive research on flavonoid-protein interactions, the effects of flavonoid glycosides on pea protein (PP) remained unclear. This study explored the non-covalent interactions of luteolin (Lu), isoorientin (Iso), and cynaroside (Cyn) with PP using molecular docking and multi-spectral techniques. Results showed that Lu interacted with PP mainly through hydrophobic forces, while Iso and Cyn interacted predominantly via hydrogen bonding. At 298 K, the binding affinity of flavonoids to PP was ranked as Lu (16.98 × 10 4 M −1 ) > Iso (7.41 × 10 4 M −1 ) > Cyn (6.31 × 10 4 M −1 ). Circular dichroism analysis showed that flavonoid glycosides loosened the protein structure by inducing a change in the secondary structure of PP from an α-helix to a random coil. This resulted in improved foaming, emulsification, and antioxidant properties of PP. This study provided insights into flavonoid-protein interactions and their potential applications in functional protein foods.
研究领域:
食品科学
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生物化学
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DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2024
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IF 6
Zihao Chen,Min Fu,Jun Chen,Guowen Zhang,Ti Li,Qin Geng,Taotao Dai
Molecular docking simulations and multispectral approaches were used to study the non-covalent interactions between β-lactoglobulin (β-LG) and chosen luteolin (Lu), isoorientin (Iso), and cynaroside (Cyn). The fluorescence quenching results demonstrated that Lu, Iso, and Cyn spontaneously formed stable complexes with β-LG through static quenching. Thermodynamic parameters and molecular docking simulations demonstrated that hydrogen bonds were the primary forces driving the interactions between the protein and flavonoids. The binding constants followed the order: β-LG-Lu (2.87 × 10⁴ L/mol) > β-LG-Iso (1.83 × 10⁴ L/mol) > β-LG-Cyn (1.52 × 10⁴ L/mol). Additionally, the C-glycosylated flavonoid (Iso) showed a higher propensity to form hydrogen bonds with β-LG compared to the O-glycosylated flavonoid (Cyn). The results of circular dichroism indicated that the β-LG structure became looser with the introduction of Lu, Iso, and Cyn. Furthermore, the assembly of β-LG-flavonoid complexes decreased the surface hydrophobicity and oil-water interfacial tension of β-LG, improved its foaming and emulsifying capabilities, and protected the antioxidant properties of the flavonoids to a certain extent. This study investigated the interaction mechanisms between flavonoids with different glycosyl types and β-LG, providing insights for the incorporation of suitable flavonoids into dairy products, and offering theoretical perspectives on preserving the antioxidant properties of flavonoids.
研究领域:
食品科学
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分子生物学
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DOI
高影响因子
EUROPEAN JOURNAL OF LIPID SCIENCE AND TECHNOLOGY
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2015
·Vol. 117
·期 10
·1636-1646
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IF 1.812
Lingyi Liu,Meirong Pang,Ying Zhang
AOB-w is a water-soluble antioxidant extracted from bamboo leaves, containing four flavone C-glucosides (orientin, isoorientin, vitexin, and isovitexin) as functional components. Flavone C-glucoside esters were firstly synthesized by three lipases (CALB, RM IM, and TL IM) in organic solvent system or solvent-free system. Results indicated that C12 fatty acid ester exhibited the optimal antioxidant capacity, CALB was the most efficient lipase in both systems, and higher conversion yields were achieved in solvent-free system. Highest conversion was obtained with 1% water content for CALB and 2% water content for RM IM and TL IM. All lipases displayed absolute 6″-regioselectivities with monoester. It is required to consider both of hydrophobicity and antioxidant capacity to prepare high-efficiency oil-soluble antioxidant. Regression equations were built up to illuminate the relationship between conversion yield of flavone C-glucoside and antioxidant capacity of its corresponding ester. Highest antioxidant capacity could be achieved when conversion yield was nearly 60% for flavone C-glucosides. Based on reaction parameters of flavone C-glucosides, high-efficiency eAOB-o was prepared, which could be expected as an excellent oil-soluble antioxidant in lipids. Practical applications: Water-soluble antioxidant of bamboo leaves (AOB-w) is a natural food antioxidant extracted from bamboo leaves, with four flavone C-glucosides (orientin, isoorientin, vitexin, and isovitexin) as functional components. This study aimed to provide a practical procedure to prepare high-efficiency lipid antioxidant by enzymatic acylation. Based on the optimal parameters from the synthesis of flavone C-glucoside esters, high-efficiency oil-soluble antioxidant of bamboo leaves (eAOB-o) was prepared. eAOB-o exhibited higher antioxidant capacity than cAOB-o, which has been approved as food antioxidants in China. High-efficiency acylation products were obtained by consideration both of lipid solubility and antioxidant capacity. Based on the rule, flavone C-glucoside ester and eAOB-o were prepared.
研究领域:
食品科学
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生物化学
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DOI
高影响因子
MICROCHEMICAL JOURNAL
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2019
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IF 3.206
Hui Guo,Yunfei Chen,Na Song,Xinyi Yang,Shen Yao,Junqing Qian
Bamboo leaf is known as dietic tea for the prevention of obesity in China. To screen lipase inhibitors from bamboo leaf extract rapidly, lipase functionalized magnetic ligand fishing combined with HPLC/MS was established. Firstly, lipase was immobilized on magnetic nanoparticles by dialdehyde starch to obtain lipase-functionalized magnetic nanoparticles (L-MNPs), and then the L-MNPs were incubated with bamboo leaf extract to fish out ligands. Three enzyme inhibitors were obtained and identified as isoorientin, orientin, isovitexin by HPLC/MS. The results provided a powerful evidence for explaining the hypolipidemic effects of bamboo leaf extract, and this ligand fishing method is feasible for screening enzyme inhibitors from complex mixtures.
研究领域:
生物化学
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药物筛选
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食品科学
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DOI
高影响因子
危险品化学品经营许可证（带存储）