Harnessing marine-derived polyphenols for the one-pot synthesis of functional silver nanoparticles: Anti-cancer, anti-bacterial, and MD simulation

초록

We synthesized representative marine-derived polyphenols, such as phlorotannins, and silver nanoparticles (AgNPs) to bridge the gap between synthesis and mechanisms of such compounds. A comprehensive study focused on their synthesized mechanisms through optimization, bioactivity assessments, and molecular dynamics (MD) analysis. The synthesis of phlorotannins and AgNPs extracted from Ishige okamurae through green synthesis was successfully performed, and the extraction process was optimized using the response surface methodology (RSM) method considering industrial efficiency and bioactivity. The synthesized Ishige okamurae phlorotannin silver nanoparticles (IOP-AgNPs) were thoroughly characterized using UV-Vis spectroscopy, Fourier transform infrared (FT-IR), dynamic light scattering (DLS), X-ray diffraction (XRD), and transmission electron microscopy (TEM), demonstrating the effectiveness of phlorotannin as a reducing and capping agent in producing stable AgNPs with significant bioactivity. In addition, MD simulations were performed to elucidate and clarify the green synthetic mechanism of phlorotannin at the molecular level, which highlighted the importance of electrostatic interactions in cluster stabilization and complemented and extended the experimental results on pH-dependent behavior. This comprehensive study generates essential data for the advancement of drug development based on marine natural products and offers practical strategies to overcome the existing challenges in their utilization.

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