In Silico and In Vitro Screening of Constituents of Eclipta Alba Leaf Extract to Reveal Antimicrobial Potential

The study explored the antimicrobial potential of Eclipta alba leaf extract using in vitro and in silico methods, identifying 17 bioactive constituents through GC-MS analysis. The methanolic extract exhibited significant antibacterial activity against Escherichia coli, Pseudomonas aeruginosa, and methicillin-resistant Staphylococcus aureus, but not against Mycobacterium tuberculosis. Molecular docking identified three compounds with strong binding energies, indicating their role as antimicrobial inhibitors. However, these compounds had poor solubility, low gastrointestinal absorption, and did not fully comply with Lipinski's rule of five, highlighting limitations in bioavailability and drug-likeness. The study concluded that Eclipta alba's methanolic extract had specific antimicrobial effects due to its phytochemical compounds, but further research was needed to optimize these compounds for drug development.