Activity prediction, toxicity and molecular modeling of terpenoids against tuberculosis

Since 2007, tuberculosis has been the leading cause of death from an infectious agent, ranking above HIV/AIDS. Thus, despite some progress in the pipeline of new drugs, the identification of new drugs for the treatment of TB is still urgent. The active and non-toxic molecules and the control molecule (rifampicin) were subjected to molecular docking using the Molegro Virtual Docker 6.0 (MVD) software with the proteins chorismate mutase and dihydrofolate reductase . Thus, this study evidenced interactions that favor the action of the compounds studied.

Tuberculosis is an infectious disease chronic Mycobacterium tuberculosis by the microorganism. The global risks of infectious diseases, much is an entity of governmental and non-governmental institutions responsible for public health policies. As tuberculosis, as an infectious disease, remains one of the leading causes of death in the world, it requires effective monitoring, efficient and reliable diagnosis, screening and effective treatment.

According to a 2019 World Health Organization (WHO) estimate report, there was an agreement with the Report of 1.2 million deaths among HIV-negative people in 2018, and a 251,000 deaths among HIV-positive people. Since 2007, tuberculosis has been the leading cause of death from an infectious agent, ranking above HIV/AIDS. Brazil ranked 18th in number of TB cases, representing 0.9% of cases worldwide and 33% of estimated cases in the Americas. In 2016, the disease incidence coefficient was 32.4 cases per 100,000 inhabitants.

The Mycobacterium genome may contain and other structural modifications that may modify the action commonly used to inhibit it. The emergence of resistance makes disease control measures more complicated. Thus, despite some progress in the pipeline of new drugs, the identification of new drugs for the treatment of TB is still urgent.