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1.
Front Endocrinol (Lausanne) ; 15: 1320092, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38435751

RESUMEN

Introduction: Hyperuricemia (HUA) is a metabolic disorder caused by purine metabolism dysfunction in which the increasing purine levels can be partially attributed to seafood consumption. Perillae Folium (PF), a widely used plant in functional food, has been historically used to mitigate seafood-induced diseases. However, its efficacy against HUA and the underlying mechanism remain unclear. Methods: A network pharmacology analysis was performed to identify candidate targets and potential mechanisms involved in PF treating HUA. The candidate targets were determined based on TCMSP, SwissTargetPrediction, Open Targets Platform, GeneCards, Comparative Toxicogenomics Database, and DrugBank. The potential mechanisms were predicted via Gene Ontology (GO) and Kyoto Gene and Genome Encyclopedia (KEGG) analyses. Molecular docking in AutoDock Vina and PyRx were performed to predict the binding affinity and pose between herbal compounds and HUA-related targets. A chemical structure analysis of PF compounds was performed using OSIRIS DataWarrior and ClassyFire. We then conducted virtual pharmacokinetic and toxicity screening to filter potential inhibitors. We further performed verifications of these inhibitors' roles in HUA through molecular dynamics (MD) simulations, text-mining, and untargeted metabolomics analysis. Results: We obtained 8200 predicted binding results between 328 herbal compounds and 25 potential targets, and xanthine dehydrogenase (XDH) exhibited the highest average binding affinity. We screened out five promising ligands (scutellarein, benzyl alpha-D-mannopyranoside, elemol, diisobutyl phthalate, and (3R)-hydroxy-beta-ionone) and performed MD simulations up to 50 ns for XDH complexed to them. The scutellarein-XDH complex exhibited the most satisfactory stability. Furthermore, the text-mining study provided laboratory evidence of scutellarein's function. The metabolomics approach identified 543 compounds and confirmed the presence of scutellarein. Extending MD simulations to 200 ns further indicated the sustained impact of scutellarein on XDH structure. Conclusion: Our study provides a computational and biomedical basis for PF treating HUA and fully elucidates scutellarein's great potential as an XDH inhibitor at the molecular level, holding promise for future drug design and development.


Asunto(s)
Hiperuricemia , Humanos , Hiperuricemia/tratamiento farmacológico , Simulación de Dinámica Molecular , Alimentos Funcionales , Simulación del Acoplamiento Molecular , Farmacología en Red , Purinas
2.
Polymers (Basel) ; 11(9)2019 Aug 29.
Artículo en Inglés | MEDLINE | ID: mdl-31470647

RESUMEN

Poly(ethylene-co-vinyl acetate) (EVA) films were deposited for the first time using physical methods. The chemical structure of the films obtained using two techniques, pulsed electron beam deposition (PED) and pulsed laser deposition (PLD), was studied by attenuated total reflection Fourier infrared spectroscopy (ATR-FTIR) and X-ray photoelectron spectroscopy (XPS). Whilst significant molecular degradation of the EVA films was observed for the PLD method, the original macromolecular structure was only partially degraded when the PED technique was used, emphasizing the superiority of the PED method over PLD for structurally complex polymers such as EVA. Optical and scanning electron microscopic observations revealed compact and smooth EVA films deposited by pulsed electron beam ablation as opposed to heterogeneous films with many different sized particulates obtained by PLD.

3.
Appl Microbiol Biotechnol ; 101(21): 7811-7821, 2017 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-28929199

RESUMEN

Sophorolipids are well-known biosurfactants produced by yeasts, having potential applications ranging from nanomaterials, medicine, and cosmetics to large-volume applications such as cleaning and soil remediation. Because of their environmentally friendly nature, they attained much interest during the past decades as a sustainable and ecological alternative to petroleum-derived surfactants. Stronger yet, research activities and scientific publications on the topic are ever increasing. However, often these studies lack proper producer strain identification and detailed structural product characterization. Flaws regarding strain identity can have huge consequences when moving to valorization and moreover tend to persist quite long in scientific literature. Furthermore, too often sophorolipid production is proposed where other biosurfactant structures cannot be ruled out based on the chemical analysis. Finally, absolute quantitative yield determination frequently occurs with variable product purity and without proper calibration standards. This review aims to highlight and discuss these discrepancies and proposes some guidelines for good practice in future sophorolipid research.


Asunto(s)
Metabolismo de los Lípidos , Tensoactivos/metabolismo , Levaduras/genética , Levaduras/metabolismo , Biotecnología/métodos , Biotecnología/tendencias , Microbiología Industrial/métodos , Microbiología Industrial/tendencias
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