AVALIAÇÃO IN SILICO DE PROPRIEDADES ADME/TOX E QUANTIFICAÇÃO DE FLAVONOIDES GLICOSILADOS COMO POTENCIAIS AGENTES HIPOGLICEMIANTES

• DOI: https://doi.org/10.22533/at.ed.8172427124

• Palavras-chave: Propriedades ADME/Tox, Polygala altomontana, Eletroforese Capilar, Quantificação, Flavonoides glicosilados.

• Keywords: ADME/Tox properties, Polygala altomontana, Capillary electrophoresis, Quantification, Glycosylated flavonoids.

• Abstract: In silico approaches have emerged as indispensable tools for screening new drug candidates. In the evaluation of pharmacokinetic properties such as absorption, distribution, metabolism and excretion (ADME), as well as toxicity (Tox), these methodologies allow the identification of compounds with therapeutic potential that present a favorable bioavailability and safety profile even before experimental testing. In silico evaluation is particularly valuable for reducing costs and time in the research and development of potential drug candidates, offering an efficient alternative for the initial selection of compounds, facilitating the identification of structural prototypes that can improve glycemic control in patients with T2DM. Due to the biological importance of several natural plant products and the possibility of their use in the food and pharmaceutical industries, the need to identify and quantify metabolites in plant matrices stands out. One of the analysis techniques is capillary electrophoresis (CE), which is based on the migration of neutral, ionic and ionizable species in the presence of an electric field. The present work quantified two glycosylated flavonoids, guaijaverin and isoquercetin, in Polygala altomontana, with concentrations of 20.9±0.2 and 39.6±2.4 mg/g of extract, respectively. In addition, in silico studies were performed to characterize the ADME/Tox properties of the flavonoids.