Estudo dos efeitos tóxicos dos terpenos ácido betulínico, betulina e ácido oleanólico: uma abordagem in silico.

Abstract

For a long time plants are used by population in order to treat and cure diseases. In dentistry it has encouraged the evaluation of different plant extracts for the oral biofilm control. Terpenes are secondary metabolites that mediate important interactions between plants and the environment. Many terpenes are widely used in agriculture, food and industries and as a general antiseptic in medical practice. Studies have shown that terpenes have several pharmacological properties including antifungal, antibacterial, anti-inflammatory, antioxidant and anti-spasmodic. Therefore, the present study aims to evaluate the potential toxicity of some of these terpenes, Betulinic Acid, Betulin and oleanolic acid, using in silico models. When performing the methodological classification of this research, we realized that it is an applied, quantitative and experimental study. All chemical information from the selected terpenes were obtained in the site http://www.chemspider.com/. For the analysis of theoretical toxicity it was submitted to the in silico study of ADMET parameters using the Osiris Property Explorer program. For the analysis of obtained data in the research it was used the software Microsoft Excel® 2010. On the results found in this study, the three analyzed terpenes, as well as chlorhexidine, showed no mutagenic, tumorigenic and irritating potentials, and also did not present damage to the reproductive system being classified on the scale 1, absent significant damage. Demonstrating, in silico, the safety of these compounds, however, clinical trials are crucial to prove these results. It can be concluded that, as well as Chlorhexidine, these terpenes are being discovered to develop alternative therapies in dentistry, and in silico tests are extremely important to check the quality of these new compounds.