Análise farmacocinética, toxicológica e farmacodinâmica in silico do flavonoide quercetina isolado das sementes de Bixa orellana l.

Abstract

The present study aimed to analyze in silico the pharmacokinetic and toxicological properties of quercetin flavonoid isolated from Bixa orellana seeds in order to observe the feasibility of this metabolite as a candidate for non-treatment of dyslipidemia. In addition, to endorse pharmacodynamics by means of molecular docking at HMG-CoA be reduced or by comparing as a reference drug sinvastatin and proposed or according to its mechanism of ação. For a pharmacokinetic and toxicological analysis, use the PreADMET online server and perform the predições as a basis for the structure and activity of molecules. A pharmacodynamic analysis was carried out by means of computational docking using AutoDock Vina software to obtain molecular structures and energy from target-ligand complexation. According to two ADME results, a quercetin shows pharmacokinetic and toxicological results next to sinvastatin. Either molecular docking indicou or energy value of binding of the most stable pose to the flavonoid and the target being –8.8 kcal / mol while that with sinvastatin presented the energy of –6.6 kcal / mol, evidencing that quercetin binds more stabilization of the active agent or commercial drug. A variation of the relationship between the two statistically significant binders with P <0.0001 indicating or complex quercetin-HMG-CoA was reduced as statistically more stable. I suggest that you check in vitro studies in order to confirm the ability to open HMG-CoA in order to understand the hypolipidemic effect.

Avaliação da atividade antimicrobiana, antioxidante e citoprotetora da quercetina contra a ação tóxica do cloreto de bário

“…A quercetina é um dos flavonoides encontrados em maior quantidade na dieta humana e isso acontece por apresentase em abundância nas frutas, chás e verduras, por isso esse tipo de flavonoide chega a ser capaz de desenvolver diversas atividades no organismo humano como: anticarcinogênica, antibacteriana, antifúngica, protetores cardiovasculares, hepáticos e da filtração renal (Simões et al, 2013), além de apresentar-se como uma potencial droga natural no tratamento das dislipidemias (Moura;Araújo;Sousa, 2020).…”