Avaliação in silico das propriedades farmacocinéticas e do potencial antibacteriano de componentes da cannabis sativa Linnaeus.

Abstract

The Bacterial resistance is a global problem of multifactorial origins. Because of that, there are undoubtedly several numerous studies aimed at developing new therapeutic agents. With that beeing said, medicinal plants have been widely studied due to their several antimicrobial biological therapeutic active molecules. One of these medicinal plants is Cannabis sativa Linnaeus. In this perspective, the objective of the study was to evaluate the antibacterial potential and the pharmacokinetic properties of Cannabis sativa Linnaeus' biological compounds in silico. The study used a theoretical computational study in silico as the metodological process. To identify and quantify the structures of the active molecules contained in Cannabis sativa Linnaeus, the Pubchem Compound platform was used, and the molecular targets were obtained from the Protein Data Bank (PDB). Furthermore, the Molegro Virtual Docker and Discovery Studio (DS) Vizualizer software were used to evaluate the antibacterial potential of Cannabis sativa Linnaeus by molecular docking, and the pharmacokinetic properties were evaluated using the SwissADME software. Promising antibacterial activity was observed in cannabinoid compounds, such as cannabichromene, cannabidiol, cannabigenol, and cannabielsoin, with the TtRNA enzyme being the most likely target for the molecules in the present study. Furthermore, all cannabinoid compounds analyzed met the specifications of Lipinski's rules, showing that they may be good drug candidates. Therefore, further studies are suggested to have a deeper understanding of the therapeutic potential of Cannabis sativa Linnaeus' cannabinoid compounds, especially their in vitro antibacterial action.