Rapid Two-Step Isolation of Kaempferol from the Hosta plantaginea Flower and Its Anti-Inflammatory Mechanism: Evidence from Network Pharmacology, Molecular Docking, Molecular Dynamics Simulation, and Experimental Validation DOI Creative Commons
Yating Yang, Bowei Xia,

Huan Ouyang

и другие.

Separations, Год журнала: 2025, Номер 12(6), С. 138 - 138

Опубликована: Май 23, 2025

The rapid isolation of target constituents from natural products poses a significant challenge and is key focus in current research. Hosta plantaginea flower (HPF), traditional Chinese medicinal herb, primarily used to treat inflammatory diseases, with kaempferol as one its major bioactive constituents. In this study, macroporous adsorption resin was purify total flavonoids (TF) the HPFs. 50% ethanol–water elution fraction TF then recrystallized yield purity 99.44%. Network pharmacology analysis identified 61 potential kaempferol-inflammation targets, which were linked PI3K-Akt TNF signaling pathways. Molecular docking molecular dynamics simulations revealed stability binding PI3K, Akt, TNF-α proteins. metrics included ability, root mean square deviation (RMSD), radius gyration, free energy landscape, solvent-accessible surface area, hydrogen bond count, RMS fluctuation, energy, amino acid residue decomposition, principal component analysis. anti-inflammatory mechanism further validated an LPS-induced RAW264.7 cell model, where it shown inhibit This study provides new insights into presents novel strategies for products.

Язык: Английский

Rapid Two-Step Isolation of Kaempferol from the Hosta plantaginea Flower and Its Anti-Inflammatory Mechanism: Evidence from Network Pharmacology, Molecular Docking, Molecular Dynamics Simulation, and Experimental Validation DOI Creative Commons
Yating Yang, Bowei Xia,

Huan Ouyang

и другие.

Separations, Год журнала: 2025, Номер 12(6), С. 138 - 138

Опубликована: Май 23, 2025

The rapid isolation of target constituents from natural products poses a significant challenge and is key focus in current research. Hosta plantaginea flower (HPF), traditional Chinese medicinal herb, primarily used to treat inflammatory diseases, with kaempferol as one its major bioactive constituents. In this study, macroporous adsorption resin was purify total flavonoids (TF) the HPFs. 50% ethanol–water elution fraction TF then recrystallized yield purity 99.44%. Network pharmacology analysis identified 61 potential kaempferol-inflammation targets, which were linked PI3K-Akt TNF signaling pathways. Molecular docking molecular dynamics simulations revealed stability binding PI3K, Akt, TNF-α proteins. metrics included ability, root mean square deviation (RMSD), radius gyration, free energy landscape, solvent-accessible surface area, hydrogen bond count, RMS fluctuation, energy, amino acid residue decomposition, principal component analysis. anti-inflammatory mechanism further validated an LPS-induced RAW264.7 cell model, where it shown inhibit This study provides new insights into presents novel strategies for products.

Язык: Английский

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