Anti-human Glioma Cancer Potentials of Neobavaisoflavone as Natural Antioxidant Compound and Its Inhibition Profiles for Acetylcholinesterase and Butyrylcholinesterase Enzymes with Molecular Modeling and Spin Density Distributions Studies

Chen, Mingsheng; Zhao, Haikang; Cheng, Yingying; Wang, Linlin; Alotaibi, Saad H.; Zhang, Yuelin

doi:10.5650/jos.ess21288

Cited by 6 publications

(3 citation statements)

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“…in PF were medium toxic. The IC 50 values were various to different cell lines and most of them ranged between 20 and 200 μg/ml ( Song et al, 2018 ; Guo et al, 2021 ; Chen et al, 2022 ). In this study, the total content of IBCL and 4MBCL in PFPE was 18.18%, other compounds (49.26%) mentioned above may have low cytotoxicity to Caco-2 cells.…”

Section: Discussionmentioning

confidence: 99%

Isobavachalcone From Cullen corylifolium Presents Significant Antibacterial Activity Against Clostridium difficile Through Disruption of the Cell Membrane

et al. 2022

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Background:Clostridium difficile infection (CDI) has been widely reported in human and animals around the world over the past few decades. The high relapse rate and increasing drug resistance of CDI make the discovery of new agents against C. difficile fairly urgent. This study aims to investigate the antibacterial activity against C. difficile from traditional Chinese herb medicine Cullen corylifolium and confirm its active components.Methods: Phenolic extract from the seeds of C. corylifolium was prepared routinely and the contents of relative flavonoids were determined by High Performance Liquid Chromatography (HPLC). In vitro antibacterial activities of the phenolic extract and its major components were tested. The influence of the major components on cell membrane was investigated with membrane integrity by SEM and propidium iodid uptake assay. Cytotoxicity of the extract and its active compounds on Caco-2 cell line was assessed by CCK-8 kit. The in vivo therapeutic efficacy of IBCL was evaluated on the mice model.Results: Phenolic extract was found to be active against C. difficile with minimum inhibitory concentrations (MIC) of 8 μg/mL. As the major component of the extract, IBCL was the most active compound against C. difficile. The MIC of IBCL and 4MBCL were 4 μg/ml and 4 μg/ml, respectively. Meanwhile, PFPE, IBCL, and 4MBCL showed rapid bactericidal effect against C. difficile in 1 h, which was significant compared to antibiotic vancomycin. Mechanism studies revealed that IBCL can disrupt the integrity of the cell membrane, which may lead to the death of bacteria. PFPE was low cytotoxic against Caco-2 cells, and the cytotoxicity of IBCL and 4MBCL were moderate. Symptoms of CDI were effectively alleviated by IBCL on the mice model and weight loss was reduced. From death rates, IBCL showed better efficacy compared to vancomycin at 50 mg/kg dosage.Conclusion: As the major component of phenolic extract of C. corylifolium seeds, IBCL showed significant antibacterial activity against C. difficile in vitro and rapidly killed the bacteria by disrupting the integrity of the cell membrane. IBCL can significantly prevent weight loss and reduce death caused by CDI on the mice model. Therefore, IBCL may be a promising lead compound or drug candidate for CDI.

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Section: Discussionmentioning

confidence: 99%

Isobavachalcone From Cullen corylifolium Presents Significant Antibacterial Activity Against Clostridium difficile Through Disruption of the Cell Membrane

et al. 2022

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“…As for corylifol C, it has been demonstrated to show significant anti‐bacterial activities against two pathogenic bacteria 61 . Neobavaisoflavone and isoneobavaisoflavone are natural anti‐oxidant compounds, which exhibited significant anti‐cancer potential against human glioma 62 . Therefore, the markers we obtained are all pharmacologically active and may affect the clinical efficacy of FP to some extent, which requires increasing attention in the quality control process.…”

Section: Resultsmentioning

confidence: 96%

Exploring quality evaluation markers of Fructus Psoraleae based on chemometric analysis integrated with network pharmacology

Zhao,

Guo,

et al. 2023

Phytochemical Analysis

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IntroductionFructus Psoraleae (FP) is a well‐known traditional Chinese medicine for the treatment of osteoporosis. However, major quality differences were witnessed owing to its various origins, thus influencing its safety and efficacy.ObjectivesThe study aimed to evaluate the quality of FP from different origins and predict its quality evaluation markers.MethodsUltra‐high‐performance liquid chromatography coupled with quadrupole time‐of‐flight tandem mass spectrometry was employed for tentative characterisation of the constituents in 10 batches of FP, followed by the utilisation of multivariate statistical analysis methods including principal component analysis and orthogonal partial least squares discriminant analysis for quality evaluation. Network pharmacology approaches were utilised to explore the underlying mechanism of the screened chemotaxonomic markers in treating osteoporosis.ResultsForty‐one components in FP including, chalcones, coumarins, coumestans, flavonoids, iso‐flavonoids, and phenolics, were characterised based on their fragmentation pathways. Ten batches of FP were basically divided into three categories, and eight chemotaxonomic markers including isopsoralen, calamenene, bakuchiol, psoralen, bavachinin, isoneobavaisoflavone, corylifol C, and neobavaisoflavone were screened. Network pharmacology revealed that the chemotaxonomic markers can act on targets such as AKT1, HSP90AA1, and EGFR and possess effects mainly through glycolysis and wnt/β‐catenin signalling to alleviate osteoporosis. Molecular docking and molecular dynamic simulation confirmed the good binding affinity and stability between proteins and selected markers. So, eight chemotaxonomic markers were all preferentially recommended as quality evaluation markers.ConclusionThe study not only provides a reference for the improvement of quality control of FP but also offers a theoretical basis for its further in‐depth research in osteoporosis.

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“…The other pathways were related to anticancer and estrogen-like effects [ 11 , 25 , 26 ]. Besides the pharmacological mechanisms of anti-osteoporosis, anti-cancer, and estrogen-like effects, the pathways were also related to anti-inflammatory, antioxidant, neuroactive, and adrenergic effects [ 27 , 28 ]. In addition, the results of KEGG analysis also showed that neobavaisoflavone might interfere with lipid metabolism to produce toxicity through the steroid hormone biosynthesis pathway, which was consistent with the literature [ 14 ] that the neobavaisoflavone had certain hepatotoxicity.…”

Section: Discussionmentioning

confidence: 99%

Metabolites Identification and Mechanism Prediction of Neobavaisoflavone In Vitro and In Vivo of Rats through UHPLC-Q-Exactive Plus Orbitrap MS Integrated Network Pharmacology

Fan

Wang

et al. 2022

Molecules

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Neobavaisoflavone is an important isoflavone component isolated from Psoraleae Fructus. It is used extensively worldwide because of its antibacterial, antioxidant, anti-inflammatory, anticancer, and anti-osteoporotic activities. However, there is no systematic and comprehensive research on the metabolism of neobavaisoflavone in vivo and in vitro. The study aimed to analyze the metabolic characteristics and mechanism of neobavaisoflavone for the first time. Firstly, biological samples were pretreated by the solid-phase extraction (SPE) method, methanol precipitation, and acetonitrile precipitation. Secondly, the samples were analyzed on UHPLC-Q-Exactive Plus Orbitrap MS. Thirdly, metabolites were tentatively identified based on retention time, parallel reaction monitoring strategy, diagnostic product ions, and neutral loss fragments. A total of 72 metabolites of neobavaisoflavone were tentatively identified, including 28 in plasma, 43 in urine, 18 in feces, six in the liver, and four in the liver microsome. The results suggested that neobavaisoflavone mainly underwent glucuronidation, sulfation, hydroxylation, methylation, cyclization, hydration, and their composite reactions in vivo and in vitro. In addition, nine active components with high bioavailability and 191 corresponding targets were predicted by the Swiss Drug Design database. The 1806 items of GO and 183 KEGG signaling pathways were enriched. These results showed that metabolites expanded the potential effects of neobavaisoflavone. The present study would provide the scientific basis for the further exploitation and application of neobavaisoflavone.

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Anti-human Glioma Cancer Potentials of Neobavaisoflavone as Natural Antioxidant Compound and Its Inhibition Profiles for Acetylcholinesterase and Butyrylcholinesterase Enzymes with Molecular Modeling and Spin Density Distributions Studies

Cited by 6 publications

References 65 publications

Isobavachalcone From Cullen corylifolium Presents Significant Antibacterial Activity Against Clostridium difficile Through Disruption of the Cell Membrane

Isobavachalcone From Cullen corylifolium Presents Significant Antibacterial Activity Against Clostridium difficile Through Disruption of the Cell Membrane

Exploring quality evaluation markers of Fructus Psoraleae based on chemometric analysis integrated with network pharmacology

Metabolites Identification and Mechanism Prediction of Neobavaisoflavone In Vitro and In Vivo of Rats through UHPLC-Q-Exactive Plus Orbitrap MS Integrated Network Pharmacology

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