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Introduction. In modern medicine, the task of preventing and correcting diseases associated with oxidative damage to cells is becoming increasingly urgent, from pathologies of the cardiovascular and nervous systems to endocrine and oncological disorders. A promising solution may be the use of natural flavonoids, compounds with proven antioxidant activity. Among the plant sources of such compounds, oil moringa (Moringa oleifera Lam.) should be noted, the pharmacological value of which is due to its high content of flavonoids and the complex action of concomitant metabolites. In this regard, studying its antioxidant properties using in silico and in vitro methods is an important step towards developing effective plant-based medicines. The aim of the study. The study of the antioxidant activity of Moringa oleifera Lam. flavonoids by in silico and in vitro methods. Material and methods. The study was based on the analysis of nine flavonoid compounds from Moringa oleifera, whose structural data were obtained from the NPASS database. The biological activity was predicted using the PASS-online online service. Molecular docking with superoxide dismutase was performed using the CB-Dock2 and Molegro Virtual Docker programs. The antioxidant activity in vitro was evaluated by the permanganatometric method in aqueous-alcohol extracts from Moringa oleifera, prepared using ethyl alcohol in three concentrations: 40%, 70%, and 96%. The content of extractive substances was determined according to the pharmacopoeial method, and the sum of flavonoids in terms of rutin was determined by the method of differential spectrophotometry. The qualitative and quantitative composition of individual representatives of flavonoids and phenolic carboxylic acids was determined using capillary electrophoresis. Results. During the computer prediction of Moringa oleifera flavonoids using the PASS‑online web service, all compounds were confirmed to have high antioxidant activity. Molecular docking revealed that hesperidin and myricetin had the highest affinity for superoxide dismutase. Based on the results of the in vitro experiment, 40% ethanol was found to be the optimal extractant due to its balanced yield of both flavonoids and phenolic acids, resulting in the highest antioxidant activity of the extracted compounds. Conclusions. The pronounced antioxidant activity of Moringa oleifera flavonoids has been established and confirmed based on in silico and in vitro experiments. Flavonoids and phenolic carboxylic acids have been identified in aqueous-alcohol extracts, potentially providing a synergistic effect. The obtained aqueous-alcohol extracts from this plant material have been shown to be promising as a source of antioxidants for the subsequent development of phytopharmaceuticals.
Published in: Problems of Biological Medical and Pharmaceutical Chemistry