Molecular insights into Mmpl3 leads to the development of novel indole-2-carboxamides as antitubercular agents.

ABSTRACT: Tuberculosis (TB) is an air-borne infectious disease and is the leading cause of death among all infectious diseases globally. The current treatment regimen for TB is overtly long and patient non-compliance often leads to drug resistant TB resulting in a need to develop new drugs that will act via novel mechanisms. In this research work, we selected Mycobacterium membrane protein large (MmpL3) as the drug target and indole-2-carboximide as our molecule of interest for further designing new molecules. A homology model was prepared for the Mycobacterium tuberculosis MmpL3 from the crystal structure of Mycobacterium smegmatis MmpL3. A series of indoles which are known to be MmpL3 inhibitors were docked in the prepared protein and the binding site properties were identifie

SUBMITTER: Ray R 

PROVIDER: S-EPMC9518744 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature