Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Quantitative Analysis and Molecular Docking Simulation of Flavonols from Eruca sativa Mill. And Their Effect on Skin Barrier Function

Version 1 : Received: 27 November 2023 / Approved: 28 November 2023 / Online: 29 November 2023 (12:16:32 CET)

A peer-reviewed article of this Preprint also exists.

Park, J.; Choi, W.; Kim, J.; Kim, H.W.; Lee, J.-Y.; Lee, J.; Kim, B. Quantitative Analysis and Molecular Docking Simulation of Flavonols from Eruca sativa Mill. and Their Effect on Skin Barrier Function. Curr. Issues Mol. Biol. 2024, 46, 398-408. Park, J.; Choi, W.; Kim, J.; Kim, H.W.; Lee, J.-Y.; Lee, J.; Kim, B. Quantitative Analysis and Molecular Docking Simulation of Flavonols from Eruca sativa Mill. and Their Effect on Skin Barrier Function. Curr. Issues Mol. Biol. 2024, 46, 398-408.

Abstract

Eruca sativa is a commonly used edible plant in Italian cuisine. E. sativa 70% ethanol extract (ES) was fractionated with five organic solvents. Ethyl acetate fraction(EEA) had the highest antioxidant activity, which was correlated with the total polyphenol and flavonoid content. ES and EEA acted as PPAR-α ligands by PPAR-α competitive binding assay. EEA significantly increased cornified envelope formation as a keratinocyte terminal differentiation marker in HaCaT cells. Further, it significantly reduced nitric oxide and pro-inflammatory cytokines in lipopolysaccharide-stimulated RAW 264.7 cells. The main flavonol forms detected in high amounts from EEA are mono-, and di-glycoside of each aglycone. Flavonol mono-glycosides were shown to be a potent PPAR-α ligand using molecular docking simulation and showed the inhibition of nitric oxide. These results suggest that E. sativa is suitable for use in improving skin barrier function and inflammation in skin disorders, such as atopic dermatitis.

Keywords

Eruca sativa; Skin barrier function; Peroxisome proliferator activated receptor-α; Anti-inflammation; Docking simulation

Subject

Medicine and Pharmacology, Complementary and Alternative Medicine

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