Compostos da classe triazenos: um estudo in silico envolvendo a análise das propriedades farmacocinéticas

Abstract

The triazene compounds have been gaining prominence as promising drugs, as they show antitumor and antimicrobial properties, such as the already marketed Dacarbazine® and Temozolomide®. Every day the incidence of cases of resistance to bacteria is alarming mankind, as well as the search for a cure for cancer in which governmental agencies warn and try to solve such problems. Thus, it is understood that the discovery and production of new compounds with this pharmacological potential is of great importance. Therefore, the present work performed an in silico study of the compounds: 1,3-bis(3-nitrophenyl)triazene, 1,3-bis(phenyl)triazene, 1-(4-nitrophenyl)-3-(2,4-dinitrophenyl)triazene, 1,3-bis(2, 4-dinitrophenyl)triazene, 3-(3-nitrophenyl)-1-(phenyl)triazene, 2-[(1E)-3-(2,4-dinitrophenyl)triaz-1-en-1-yl]-1,3-thiazol), 2-[(1E)-3-(2,4-dinitrophenyl)triaz-1-en-1-yl]-1,3-benzothiazole and 2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-1H-benzimidazole, in order to predict whether such molecules have the potential for their use as possible drugs. Methodologically the work used the tools ACD/ChemSketch (version 2020.2.1), Molinspiration, Osiris Property Explorer, ChemInfo, PreADMET and PharmMapper. The data obtained through these softwares, showed that most of the triazene compounds, especially the novel ones showed pharmacological potential.