Development of novel natural product-based formulations: enhancing ferulic acid delivery via NADES in DMPC bilayer systems

Abstract

The poor water solubility and low bioavailability of ferulic acid, a potent natural bioactive compound, present significant challenges for its pharmaceutical application. This thesis explores a novel strategy to address these limitations by integrating Natural Deep Eutectic Solvents (NaDES) with dimyristoylphosphatidylcholine (DMPC) bilayer liposomes, creating an eco-friendly and efficient drug delivery system. Advanced computational techniques, including COSMO-RS and COSMOmic simulations, were employed to predict molecular interactions, solubility enhancements, and diffusion behaviors of ferulic acid within NaDES and lipid bilayer environments. Experimental validation demonstrated that NaDES significantly improved the encapsulation efficiency, solubility, and sustained release of ferulic acid in DMPC liposomes. These findings highlight the potential of NaDES-liposome systems as a promising platform for the delivery of poorly water-soluble bioactives, offering new avenues for sustainable pharmaceutical development based on green chemistry principles. The work contributes to the growing body of research focused on the rational design of next-generation drug delivery systems, maximizing therapeutic efficacy while minimizing environmental impact.