In vitro investigation of Datura innoxia phytocompounds against Mycobacterium tuberculosis H37Ra strain in association with in silico studies.

ABSTRACT: Tuberculosis (TB) is a recurrent and progressive bacterial disease caused by Mycobacterium tuberculosis (Mtb), posing a significant challenge globally due to its drug resistance. This study focuses on identifying natural phytocompounds from the plant Datura innoxia (leaves), which is well known for its biologically active metabolites. Initially, the current study employed in vitro analysis of 20 phytocompounds, revealing that the natural compound 9, o-vanillin, exhibited the best minimal inhibitory concentration (MIC) which was 12.5 µg/mL, and minimal bactericidal concentration (MBC) was 50 µg/mL, all other phytocompounds showing remarkable antitubercular activity against the Mtb H37Ra strain. The molecular docking and simulation also validated the strong affinity and stable binding intera

SUBMITTER: Khan SA 

PROVIDER: S-EPMC12479965 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature