This study investigated the effects of glycyrrhizic acid and liquiritin-the primary bioactive compounds in Glycyrrhiza uralensis Fisch.-on myosin conformational dynamics, antioxidative functionality, and polycyclic aromatic hydrocarbons (PAHs) generation. Both phytochemicals interacted with myosin via static quenching mechanisms, eliciting structural rearrangements that amplified radical scavenging efficacy, retarded oxidation, and ultimately suppressed PAHs accumulation. Quantum chemical calculation revealed glycyrrhizic acid's diminished HOMO-LUMO energy gap compared to liquiritin, signifying superior electron-donating capacity and molecular affinity. Subsequent molecular dynamics simulations corroborated heightened binding stability for glycyrrhizic acid, characterized by persistent interactions at residues Asp472, Phe471, and Glu469. Collectively, these findings elucidate a structural modulation mechanism wherein glycyrrhizic acid enhances myosin's antioxidative defense to attenuate PAHs formation, advancing natural intervention paradigms for optimizing safety and nutritional quality in protein-based food matrices.
Xue et al. (Wed,) studied this question.
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