Study of andrographolide bioactivity against based on computational methodology and biochemical analysis.

Andrographolide is one of the main biologically active molecules isolated from , which is a traditional Chinese herb used extensively throughout Eastern Asia, India, and China. often known as is a common clinical opportunistic pathogen with remarkable adaptability to harsh settings and resistance to antibiotics. possesses a wide array of virulence traits, one of which is biofilm formation, which contributes to its pathogenicity. One of the main modulators of the -controlled intramembrane proteolysis pathway is AlgW, a membrane-bound periplasmic serine protease. In this work, we have used a set of density functional theory (DFT) calculations to understand the variety of chemical parameters in detail between andrographolide and levofloxacin, which show strong bactericidal activity against . Additionally, the stability and interaction of andrographolide and levofloxacin with the protein AlgW have been investigated by molecular docking and molecular dynamics (MD) simulations . Moreover, the growth and inhibition of biofilm production by experiments were also investigated, providing insight that andrographolide could be a potential natural product to inhibit