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Novel xanthine oxidase inhibitory peptides derived from whey protein: identification, in vitro inhibition mechanism and in ... 1 1 Introduction 1 2 Materials and methods 2 2.1 Chemicals and materials 2 2.2 In vitro simulated gastrointestinal digestion of WPI 2 2.3 XO inhibitory activity assay 2 2.4 Separation of WPI-SGID with ultrafiltration 2 2.5 Separation of U3 with Sephadex G-15 gel filtration chromatography 2 2.6 Molecular weight distribution 2 2.7 Amino acid composition analysis 2 2.8 Identification of peptides by LC-MS/MS 2 2.9 Molecule docking study 2 2.10 Kinetic study 3 2.11 Circular dichroism study 3 2.12 Molecular dynamics simulation 3 2.13 Animal experiment 3 2.14 Statistical analysis 4 3 Results and discussion 4 3.1 Purification of XO inhibitory peptides from WPI-SGID 4 3.2 Screening of XO inhibitory peptides using computer simulation 5 3.3 Visualization of molecular docking of XO to peptides 6 3.4 In vitro activity validation of synthetic peptides 7 3.5 Inhibition type of XO inhibitory peptides 7 3.6 Conformational changes of XO 8 3.7 Molecular dynamics simulation 8 3.8 In vivo anti-hyperuricemia effect of ALPM and LWM 8 4 Conclusions 9 Declaration of Competing Inte
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