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Non-covalent complexation of zein with hemp seed Cannabisins A and Cannabisins B: Molecular mechanisms, structural
Jia Luo1, Zuo-Xing Di1, Peng-Xiang Li1
1College of New Materials and Chemical Engineering, Beijing Institute of Petrochemical Technology, Beijing, 102617, PR China.
Abstract:
This study investigated the non-covalent interactions between zein and hemp seed phenolics-Cannabisin A (CA) and Cannabisin B (CB)-to elucidate the mechanisms underlying their functional enhancement. Molecular docking indicated strong binding affinities driven by hydrophobic interactions and hydrogen bonding. Spectroscopic analyses corroborated complex formation via static quenching, accompanied by localized conformational changes in the protein structure. Surface hydrophobicity was significantly reduced upon complexation; meanwhile, X-ray diffraction revealed the extensive amorphization of crystalline CA within the zein matrix, suggesting molecular-level dispersion. Notably, encapsulation markedly enhanced antioxidant capacity, a distinct improvement observed particularly for the more hydrophobic CA. This enhancement is attributed to the superior dispersion of hydrophobic phenolics within the zein matrix, which mitigates aggregation-induced limitations. Collectively, these findings demonstrate that zein-phenolic complexation is a viable strategy to transform poorly soluble bioactives into functional ingredients.
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