Outlook on Chronic Venous Disease Treatment: Phytochemical Screening, In Vitro Antioxidant Activity and In Silico Studies for Three Vegetal Extracts

• Published in: Molecules (Basel, Switzerland) Vol. 28; no. 9; p. 3668
• Main Authors: Ungureanu, Andreea Roxana, Chițescu, Carmen Lidia, Luță, Emanuela Alice, Moroșan, Alina, Mihaiescu, Dan Eduard, Mihai, Dragoș Paul, Costea, Liliana, Ozon, Emma Adriana, Fița, Ancuța Cătălina, Balaci, Teodora Dalila, Boscencu, Rica, Gîrd, Cerasela Elena
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 23.04.2023; MDPI
• Subjects: Acids; Analysis; antioxidant activity; Antioxidants; Antioxidants - chemistry; Bioflavonoids; Blood circulation disorders; Calendulae flos extract; Chemical activity; Chemical composition; chronic venous disease; Disease; Edema; Flavones; Flavonoids; Free radicals; Ginkgo bilobae folium extract; Health services; Humans; Inflammation; Isoforms; Leukocytes; Matrix metalloproteinase; Matrix metalloproteinases; Medical screening; Medical treatment; Molecular docking; Molecular Docking Simulation; Permeability; phytochemical composition; Phytochemicals; Phytochemicals - chemistry; Plant Extracts - chemistry; Plant Extracts - pharmacology; Polyphenols; Scientific equipment and supplies industry; Signs and symptoms; Solvents; Sophorae flos extract; Spectrophotometry; Varicose veins; Vascular Diseases; United States; Germany; Romania; Ginkgo bilobae folium extract; molecular docking; Sophorae flos extract; chronic venous disease; matrix metalloproteinase; phytochemical composition; antioxidant activity; Calendulae flos extract
• ISSN: 1420-3049; 1420-3049
• DOI: 10.3390/molecules28093668

Chronic venous disease is one of the most common vascular diseases; the signs and symptoms are varied and are often neglected in the early stages. Vascular damage is based on proinflammatory, prothrombotic, prooxidant activity and increased expression of several matrix metalloproteinases (MMPs). The aim of this research is preparation and preliminary characterization of three vegetal extracts ( -SE, -GE and -CE). The obtained dry extracts were subjected to phytochemical screening (FT-ICR-MS, UHPLC-HRMS/MS) and quantitative analysis (UHPLC-HRMS/MS, spectrophotometric methods). Antioxidant activity was evaluated using three methods: FRAP, DPPH and ABTS. More than 30 compounds were found in each extract. The amount of flavones follows the succession: SE > GE > CE; the amount of phenolcarboxylic acids follows: SE > CE > GE; and the amount of polyphenols follows: SE > GE > CE. Results for FRAP method varied as follows: SE > CE > GE; results for the DPPH method followed: SE > GE > CE; and results for ABTS followed: SE > GE > CE. Strong and very strong correlations (appreciated by Pearson coefficient) have been observed between antioxidant activity and the chemical content of extracts. Molecular docking studies revealed the potential of several identified phytochemicals to inhibit the activity of four MMP isoforms. In conclusion, these three extracts have potential in the treatment of chronic venous disease, based on their phytochemical composition.