Glucosamine-6-Phosphate Synthase de Mycobacterium tuberculosis: um estudo in silico para predição de um modelo tridimensional refinado

Abstract

Tuberculosis is one of the main causes of death by an infectious agent in the world, according to the World Health Organization. Studies indicate that enzymes involved in the biosynthesis of uridine diphosphate-N-acetylglucosamine are essential for the life cycle of the bacterium. One of these enzymes is glucosamine-6-phosphate synthase (GlmS), which does not have a three-dimensional structure available in the protein database on the internet. In this work, structural bioinformatics methods (comparative modeling and molecular refinement) were used to build a refined three-dimensional model for the GlmS enzyme of Mycobacterium tuberculosis. The model was generated using four template structures (crystallographic). The results obtained for the stereochemical and general parameters of the refined model were better than the original model and similar to those template structures, validating the refined model.