Abstract
Surfactin lipopeptides (LPs) are a compelling class of biosurfactants with notable antimicrobial and anticancer properties. This study presents a novel approach by integrating bioinformatics tools to assess the drug potential of Surfactin, specifically focusing on its antibacterial, antifungal activities, and cancer cell-line toxicity. Silver nanoparticles (AgNPs) were synthesized using Surfactin, a biosurfactant derived from Bacillus subtilis KLP2016, as a capping agent, both in the presence and absence of Surfactin, to evaluate its impact on nanoparticle stability and bioactivity. The Surfactin-capped AgNPs demonstrated enhanced stability, uniformity, and antimicrobial efficacy, confirmed through UV-VIS spectroscopy, FE-SEM, and X-ray diffraction analysis. The bioinformatics approach, including ADMET and PASS analysis, revealed the potential of Surfactin as a potent antimicrobial and anticancer agent. In addition, molecular docking studies further validated the interaction of Surfactin with key microbial cell-wall enzymes and proteins, underscoring its therapeutic potential. These findings suggest that Surfactin-stabilized AgNPs, combined with bioinformatic predictions, could pave the way for innovative antimicrobial and anticancer therapies.