title: Potential of lignin from Canna edulis ker residue in the inhibition of α-d-glucosidase: Kinetics and interaction mechanism merging with docking simulation.
abstract: In this study, we extracted lignin from Canna edulis ker residue. Its chemical structure, inhibitory activity on α-d-glucosidase, and kinetics as well as interaction mechanism were investigated by using spectrum analysis and docking simulation. The isolated lignin was composed by guaiacyl and syringal units, and exhibited stronger inhibition on α-d-glucosidase than acarbose with the half maximal inhibitory concentration at 5.3±0.3μM. It was a non-competitive inhibitior with Kmand Kivalues of 0.53±0.02mM and 0.92±0.12μM, respectively. It could quench the intrinsic fluorescence of α-d-glucosidase through a static quenching mode. The calculated values of enthalpy and entropy change were 20.8±2.5kJmol-1and 172.7±0.8Jmol-1K-1, respectively. There was a single binding site on α-d-glucosidase for lignin, and the binding distance was 3.2nm. The molecular docking analysis exhibited that the hydrogen bonds, hydropholic interaction, and van der Waals forces were the main forces for lignin bind to α-d-glucosidase. This work provides a new insight into the interaction between the lignin and α-d-glucosidase, which might be beneficial to type 2 diabetes with the application of lignin in functional food and pharmacy fields.
authors.affiliation: Department of Food Science & Technology, School of Agriculture and Biology, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240, China.
authors.forename: Fan
authors.initials: F
authors.lastname: Xie
authors.affiliation: Department of Food Science & Technology, School of Agriculture and Biology, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240, China.
authors.forename: Shengxiang
authors.initials: S
authors.lastname: Gong
authors.affiliation: Department of Food Science & Technology, School of Agriculture and Biology, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240, China.
authors.forename: Wei
authors.initials: W
authors.lastname: Zhang
authors.affiliation: Department of Food Science & Technology, School of Agriculture and Biology, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240, China.
authors.forename: Jinhong
authors.initials: J
authors.lastname: Wu
authors.affiliation: Department of Food Science & Technology, School of Agriculture and Biology, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240, China. Electronic address: zhengwuwang@sjtu.edu.cn.
authors.forename: Zhengwu
authors.initials: Z
authors.lastname: Wang
mesh_terms: D002236:Carbohydrate Conformation; D065089:Glycoside Hydrolase Inhibitors / Q000737:chemistry / Q000378:metabolism* / Q000494:pharmacology*; D007700:Kinetics; D008031:Lignin / Q000737:chemistry / Q000378:metabolism* / Q000494:pharmacology*; D062105:Molecular Docking Simulation; D011485:Protein Binding; D011487:Protein Conformation; D013816:Thermodynamics; D019862:Zingiberales / Q000737:chemistry*; D000520:alpha-Glucosidases / Q000737:chemistry / Q000378:metabolism*
chemical_list: D065089:Glycoside Hydrolase Inhibitors; D008031:Lignin; D000520:alpha-Glucosidases
keywords: Canna edulis ker residue; Lignin; α-d-Glucosidase