Self-assembled peptides derived from sesame meal as novel carriers for β-carotene with enhanced bioavailability: A study integrating experimental and computational perspectives

This study aimed to develop a self-assembled nanodelivery system derived from sesame protein hydrolysates (SPH) for the efficient encapsulation and delivery of β-carotene (BC). SPH with a 12 % degree of hydrolysis (SPH DH12 ), prepared via alkaline protease-mediated hydrolysis, exhibited optimal self-assembly properties. Optimized parameters yielded 50.30 ± 0.43 nm BC-SPH DH12 nanoparticles with 75.23 ± 0.92 % encapsulation efficiency and 11.14 ± 0.14 % drug loading capacity. BC encapsulation triggered secondary structural shifts (33.8 % α-helix decrease, 41.9 % β-sheet increase) and masked characteristic FTIR peaks. Peptidomics integrated with coarse-grained molecular dynamics identified five core peptides for BC encapsulation via hydrophobic interaction-driven self-assembly. In vitro digestion showed BC-SPH DH12 effectively prolonged BC release (26.76 % cumulative release). Rat pharmacokinetic studies further confirmed superior absorption, with a peak plasma concentration of 64.98 ng/mL and 2.73-fold higher bioavailability versus free BC. This work confirms that SPH self-assembly represents an effective strategy for hydrophobic nutraceutical delivery.