Exploring Gunnera tinctoria : From Nutritional and Anti-Tumoral Properties to Phytosome Development Following Structural Arrangement Based on Molecular Docking

• Published in: Molecules (Basel, Switzerland) Vol. 26; no. 19; p. 5935
• Main Authors: Fathi, Faezeh, Ebrahimi, Samad N, Valadão, Ana I G, Andrade, Nelson, Costa, Anabela S G, Silva, Cláudia, Fathi, Alireza, Salehi, Peyman, Martel, Fátima, Alves, Rita C, Oliveira, Maria Beatriz P P
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 30.09.2021; MDPI
• Subjects: Antineoplastic Agents, Phytogenic - pharmacology; Antioxidants; Antioxidants - pharmacology; bilayer arrangement; Binding sites; bioactive compounds; Bioavailability; Breast; Carbohydrates; Cell growth; Cholesterol; Chromatography; Column chromatography; Dietary fiber; Enrichment; Flavonoids; Food; Fractions; Gunnera tinctoria; Humans; Invasive plants; Invasiveness; Leaves; Lipid bilayers; Lipids; Magnoliopsida - chemistry; Molecular docking; Molecular Docking Simulation; Natural polymers; Natural products; Neoplasms - drug therapy; Neoplasms - pathology; Nutrients; Nutritive Value; Pancreatic cancer; Phenolic compounds; Phenols; Physiochemistry; phytosome; Plant Extracts - pharmacology; Polarity; Polymers; Proteins; secondary layer; Tumor cell lines; Tumor Cells, Cultured; phytosome; bioactive compounds; molecular docking; secondary layer; bilayer arrangement
• ISSN: 1420-3049; 1420-3049
• DOI: 10.3390/molecules26195935

, an underexplored invasive plant found in Azores, Portugal, was studied regarding its nutritional, antioxidant, and antitumoral properties. Higher antioxidant activity was found in baby leaves, followed by adult leaves and inflorescences. A phenolic fraction of the plant was enriched using adsorbent resin column chromatography (Diaion HP20LX, and Relite EXA90). Antitumoral effects were observed with the enriched fractions in breast (MCF-7) and pancreatic (AsPC-1) cancer cell lines, being more pronounced in the latter. To improve protection and membrane absorption rates of phenolic compounds, nano-phytosomes and cholesterol-conjugated phytosomes coated with natural polymers were loaded with the enriched fraction. The particles were characterized, and their physiochemical properties were evaluated and compared. All samples presented anionic charge and nanometer size in relation to the inner layer and micrometer size regarding the external layers. In addition, the molecular arrangement of phenolics within both types of phytosomes were studied for the first time by molecular docking. Polarity and molecular size were key factors on the molecular arrangement of the lipid bilayer. In conclusion, showed to be an interesting source of nutrients and phenolic compounds with anti-tumoral potential. Moreover, phytosome loading with these compounds can increase their stability and bioavailability having in view future applications.