title: Mushroom (Agaricus bisporus) polyphenoloxidase inhibited by apigenin: Multi-spectroscopic analyses and computational docking simulation.
abstract: It has been revealed that some polyphenols can prevent enzymatic browning caused by polyphenoloxidase (PPO). Apigenin, widely distributed in many fruits and vegetables, is an important bioactive flavonoid compound. In this study, apigenin exhibited a strong inhibitory activity against PPO, and some reagents had synergistic effect with apigenin on inhibiting PPO. Apigenin inhibited PPO activity reversibly in a mixed-type manner. The fact that inactivation rate constant (k) of PPO increased while activation energy (Ea) and thermodynamic parameters (ΔG, ΔH and ΔS) decreased indicated that the thermosensitivity and stability of PPO decreased. The conformational changes of PPO were revealed by fluorescence emission spectra and circular dichroism. Atomic force microscopy observation suggested that the dimension of PPO molecules was larger after interacting with apigenin. Moreover, computational docking simulation indicated that apigenin bound to PPO and inserted into the hydrophobic cavity of PPO to interact with some amino acid residues.
authors.affiliation: State Key Laboratory of Food Science and Technology, Nanchang University, No. 235 Nanjing East Road, Nanchang, Jiangxi 330047, China.
authors.forename: Zhiqiang
authors.initials: Z
authors.lastname: Xiong
authors.affiliation: State Key Laboratory of Food Science and Technology, Nanchang University, No. 235 Nanjing East Road, Nanchang, Jiangxi 330047, China. Electronic address: liuwei@ncu.edu.cn.
authors.forename: Wei
authors.initials: W
authors.lastname: Liu
authors.affiliation: State Key Laboratory of Food Science and Technology, Nanchang University, No. 235 Nanjing East Road, Nanchang, Jiangxi 330047, China.
authors.forename: Lei
authors.initials: L
authors.lastname: Zhou
authors.affiliation: State Key Laboratory of Food Science and Technology, Nanchang University, No. 235 Nanjing East Road, Nanchang, Jiangxi 330047, China.
authors.forename: Liqiang
authors.initials: L
authors.lastname: Zou
authors.affiliation: State Key Laboratory of Food Science and Technology, Nanchang University, No. 235 Nanjing East Road, Nanchang, Jiangxi 330047, China.
authors.forename: Jun
authors.initials: J
authors.lastname: Chen
mesh_terms: D000364:Agaricus / Q000201:enzymology*; D047310:Apigenin / Q000737:chemistry / Q000494:pharmacology*; D004156:Catechol Oxidase / Q000037:antagonists & inhibitors* / Q000737:chemistry; D002942:Circular Dichroism; D004795:Enzyme Stability; D005638:Fruit / Q000737:chemistry; D057927:Hydrophobic and Hydrophilic Interactions; D007700:Kinetics; D062105:Molecular Docking Simulation; D059808:Polyphenols / Q000494:pharmacology; D011485:Protein Binding; D011487:Protein Conformation; D013056:Spectrophotometry, Ultraviolet; D013816:Thermodynamics; D014675:Vegetables / Q000737:chemistry
chemical_list: D059808:Polyphenols; D047310:Apigenin; D004156:Catechol Oxidase
keywords: Apigenin; Computational docking simulation; Inhibition mechanism; Polyphenoloxidase; Thermodynamic parameters