Pharmacological and toxicological potential of metabolites isolated from Siparuna guianensis through computational methodology

Abstract

The species Siparuna guianensis Aubl. (Siparunaceae) is medicinal aromatic, and is present in important reservoirs of medicinal biomass in the Brazilian Cerrado, being restricted to some environments and recommended as a priority for conservation. The leaves are the most popularly used parts of the plant, being an important raw material for prospective use due to their antimicrobial potential. In this context, the present project aimed to evaluate the toxicological potential of metabolites isolated from Siparuna guianensis through in silico prediction, aiming at obtaining new drug candidates from this species. Regarding the in silico toxicological analysis, it was possible to identify that most of the major compounds are potential candidates to be used in research related to biological activity against microorganisms. However, the continuity of the research with the plant in question is essential, since it presents a group of components and substances that have pharmacological actions, so it is important that there is continuity of work using this species found in the southern region of Tocantins, since promising compounds with less toxicity were verified for future investigations in in vitro and in vivo tests, which could be a strong candidate for a new drug.