Analysis of the toxicological and pharmacokinetic profile of Kaempferol-3-0-[beta]-D- glucopiranosideo--Tilirosideo: ensaio in silico, in vitro e ex vivo

Tiliroside is a glycosidic flavonoid present in many plants species including Helicteres velutina K. Schum (Malvaceae sensu lato), commonly known in Brazil as "pito". This molecule has been shown to have many biological activities, however no study has been carried out to investigate the toxicity of this substance. The present work aimed to evaluate the possible cellular toxicity in silico, in vitro and ex-vivo of the kaempferol-3-0-[beta]-D-(6"-E-p- coumaroyl) glucopyranoside (tiliroside), through chemical structure analysis, toxicity assessment and predictive bioactive properties, using human samples for in vitro and ex-vivo tests. The in silico analysis suggests that tiliroside exhibited great absorption index when penetrating biological membranes. In addition, it also displayed considerable potential for cellular protection against free radicals, and anticarcinogenic, antioxidant, antineoplastic, anti-inflammatory, anti-hemorrhagic and antithrombotic activities. The assessment of the hemolytic and genotoxic effects of tiliroside showed low hemolysis rates in red blood cells and absence of cellular toxicity in the oral mucosa cells. The data obtained indicate that this molecule could be a promising therapeutic approach as a possible new drug with biotechnological potential. Keywords: hemolytic, genotoxicity, toxicity, Helicteres velutina. O tilirosideo e um flavonoide glicosidico presente em muitas especies de plantas, incluindo Helicteres velutina K. Schum (Malvaceae sensu lato), conhecida no Brasil como "pito". Esta molecula mostrou ter muitas atividades biologicas, porem nenhum estudo foi realizado para investigar a toxicidade dessa substancia. O presente trabalho teve como objetivo avaliar a possivel toxicidade celular in silico, in vitro e ex-vivo do kaempferol-3-O-[beta]-D- (6 "-Ep- coumaroil) glucopiranosideo (tilirosideo), por meio de analises de estrutura quimica, toxicidade avaliacao e propriedades bioativas preditivas, utilizando amostras humanas para testes in vitro e ex-vivo. A analise in silico sugere que o tilirosideo exibe bom indice de absorcao para penetrar nas membranas biologicas. Alem disso, apresentou consideravel potencial de protecao celular contra os radicais livres e com atividades anticarcinogenica, antioxidante, antineoplasica, antiinflamatoria, anti-hemorragica e antitrombotica. A avaliacao dos efeitos hemoliticos e genotoxicos do tilirosideo mostrou baixas taxas de hemolise nas hemacias e ausencia de toxicidade em celulas d