Identification of Antibacterial Leads from Andrographis paniculata Leaves via in vitro and in silico studies

Pharmaceutical researchers are continually exploring potent compounds that could lead to the discovery of effective treatments against pathogens. Scientists maintain an unwavering interest in identifying effective molecules from the vast array of phytochemicals. In this study, we prepared hexane and acetone extracts from the medicinal herb Andrographis paniculata. These extracts were screened against the pathogens E. coli, S. aureus, and P. aeruginosa. Interestingly, the hexane extract exhibited no activity against the pathogens, while the acetone extract demonstrated significant inhibitory effects on the growth of all three pathogens. To identify the specific phytochemicals, present in the extract, we conducted GC-MS analysis. Among the compounds identified, three stood out due to their favorable ADME properties and bioavailability: alpha-bisabolene epoxide, alpha-bulnesene, and andrographolide. Further investigations involved in silico studies on selected structural proteins of microbes with these drug-like molecules. These studies revealed that andrographolide, a diterpene lactone, exhibited high binding affinity on the structural receptors of pathogens. Additionally, computational methods were employed to identify the most likely receptor involved in inhibiting the growth of microorganisms.

T. K. Bindu1, Vinod P. Raphael*2, K. S. Shaju3 and Sherry Sebastian4 Click here to download file

Research Article | Published online : 19-Apr-2024