Bioinformatic analysis of natural compounds for the inhibition of the Ftsz protein of Mycobacterium tuberculosis 9280

Abstract Description Tuberculosis is an infectious disease caused by the bacteria Mycobacterium tuberculosis, which, according to the World Health Organization, has affected millions of people and even strains have appeared that are resistant to the drugs used for the treatment of tuberculosis. Mycobacterium tuberculosis has a slow reproduction cycle and there are multiple factors that help the mycobacterium to be able to duplicate, one of these factors is the formation of the “Z” ring that is regulated by various proteins, including the FtsZ protein that plays a fundamental role in the formation of said ring during the replication process. The FtsZ protein can be a therapeutic target in the treatment of tuberculosis, by inhibiting cell replication Molecular docking is a bioinformatics method that allows us to predict and computationally calculate the most favorable interaction position between a ligand and a target (usually protein) from their three-dimensional representations In the present research, the molecular docking technique is performed, using specific software such as PyMOL and AutoDock Tools-MGTools for molecular docking with a focus on protein-ligand interaction applied to the discovery of natural compounds to inhibit the FtsZ protein of Mycobacterium tuberculosis. The 20 molecules with minor energy less than or equal to that of the ligand were chosen, which is -8.7 kCal and therefore are those with the highest affinity. Funding Sources Supported by IPN grant number 20221842 Topic Categories Computational and Systems Immunology (COMP)